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Apr 14

Randomness, Not Representation: The Unreliability of Evaluating Cultural Alignment in LLMs

Research on the 'cultural alignment' of Large Language Models (LLMs) has emerged in response to growing interest in understanding representation across diverse stakeholders. Current approaches to evaluating cultural alignment borrow social science methodologies but often overlook systematic robustness checks. Here, we identify and test three assumptions behind current evaluation methods: (1) Stability: that cultural alignment is a property of LLMs rather than an artifact of evaluation design, (2) Extrapolability: that alignment with one culture on a narrow set of issues predicts alignment with that culture on others, and (3) Steerability: that LLMs can be reliably prompted to represent specific cultural perspectives. Through experiments examining both explicit and implicit preferences of leading LLMs, we find a high level of instability across presentation formats, incoherence between evaluated versus held-out cultural dimensions, and erratic behavior under prompt steering. We show that these inconsistencies can cause the results of an evaluation to be very sensitive to minor variations in methodology. Finally, we demonstrate in a case study on evaluation design that narrow experiments and a selective assessment of evidence can be used to paint an incomplete picture of LLMs' cultural alignment properties. Overall, these results highlight significant limitations of current approaches for evaluating the cultural alignment of LLMs.

  • 3 authors
·
Mar 11, 2025

Physics of Language Models: Part 4.1, Architecture Design and the Magic of Canon Layers

Understanding architectural differences in language models is challenging, especially at academic-scale pretraining (e.g., 1.3B parameters, 100B tokens), where results are often dominated by noise and randomness. To overcome this, we introduce controlled synthetic pretraining tasks that isolate and evaluate core model capabilities. Within this framework, we discover CANON LAYERS: lightweight architectural components -- named after the musical term "canon" -- that promote horizontal information flow across neighboring tokens. Canon layers compute weighted sums of nearby token representations and integrate seamlessly into Transformers, linear attention, state-space models, or any sequence architecture. We present 12 key results. This includes how Canon layers enhance reasoning depth (e.g., by 2times), reasoning breadth, knowledge manipulation, etc. They lift weak architectures like NoPE to match RoPE, and linear attention to rival SOTA linear models like Mamba2/GDN -- validated both through synthetic tasks and real-world academic-scale pretraining. This synthetic playground offers an economical, principled path to isolate core model capabilities often obscured at academic scales. Equipped with infinite high-quality data, it may even PREDICT how future architectures will behave as training pipelines improve -- e.g., through better data curation or RL-based post-training -- unlocking deeper reasoning and hierarchical inference.

facebook AI at Meta
·
Dec 19, 2025 2

Exploring the Impact of Temperature on Large Language Models:Hot or Cold?

The sampling temperature, a critical hyperparameter in large language models (LLMs), modifies the logits before the softmax layer, thereby reshaping the distribution of output tokens. Recent studies have challenged the Stochastic Parrots analogy by demonstrating that LLMs are capable of understanding semantics rather than merely memorizing data and that randomness, modulated by sampling temperature, plays a crucial role in model inference. In this study, we systematically evaluated the impact of temperature in the range of 0 to 2 on data sets designed to assess six different capabilities, conducting statistical analyses on open source models of three different sizes: small (1B--4B), medium (6B--13B), and large (40B--80B). Our findings reveal distinct skill-specific effects of temperature on model performance, highlighting the complexity of optimal temperature selection in practical applications. To address this challenge, we propose a BERT-based temperature selector that takes advantage of these observed effects to identify the optimal temperature for a given prompt. We demonstrate that this approach can significantly improve the performance of small and medium models in the SuperGLUE datasets. Furthermore, our study extends to FP16 precision inference, revealing that temperature effects are consistent with those observed in 4-bit quantized models. By evaluating temperature effects up to 4.0 in three quantized models, we find that the Mutation Temperature -- the point at which significant performance changes occur -- increases with model size.

  • 5 authors
·
Jun 8, 2025

From Entropy to Epiplexity: Rethinking Information for Computationally Bounded Intelligence

Can we learn more from data than existed in the generating process itself? Can new and useful information be constructed from merely applying deterministic transformations to existing data? Can the learnable content in data be evaluated without considering a downstream task? On these questions, Shannon information and Kolmogorov complexity come up nearly empty-handed, in part because they assume observers with unlimited computational capacity and fail to target the useful information content. In this work, we identify and exemplify three seeming paradoxes in information theory: (1) information cannot be increased by deterministic transformations; (2) information is independent of the order of data; (3) likelihood modeling is merely distribution matching. To shed light on the tension between these results and modern practice, and to quantify the value of data, we introduce epiplexity, a formalization of information capturing what computationally bounded observers can learn from data. Epiplexity captures the structural content in data while excluding time-bounded entropy, the random unpredictable content exemplified by pseudorandom number generators and chaotic dynamical systems. With these concepts, we demonstrate how information can be created with computation, how it depends on the ordering of the data, and how likelihood modeling can produce more complex programs than present in the data generating process itself. We also present practical procedures to estimate epiplexity which we show capture differences across data sources, track with downstream performance, and highlight dataset interventions that improve out-of-distribution generalization. In contrast to principles of model selection, epiplexity provides a theoretical foundation for data selection, guiding how to select, generate, or transform data for learning systems.

  • 6 authors
·
Jan 6

LLMs are Single-threaded Reasoners: Demystifying the Working Mechanism of Soft Thinking

Human cognition naturally engages with abstract and fluid concepts, whereas existing reasoning models often rely on generating discrete tokens, potentially constraining their expressive capabilities. Recent advancements aim to address this limitation by enabling large language models (LLMs) to generate soft, abstract tokens, thus facilitating reasoning within a continuous concept space. This paper explores the `Soft Thinking' capabilities of various LLMs by examining the models' internal behavior using a suite of probing techniques. Contrary to the common belief that Soft Thinking enables the simultaneous exploration of diverse reasoning paths, our findings reveal that LLMs predominantly rely on the most influential component of the soft inputs during subsequent decoding steps. This reliance hinders the exploration of different reasoning paths and reduces vanilla Soft Thinking to a form of greedy decoding, obscuring the advantage of transmitting more information through Soft Tokens. To tackle this issue, we explore sampling strategies to introduce randomness, employing methods such as Dirichlet resampling and the Gumbel-Softmax trick. Our experiments demonstrate that incorporating randomness can alleviate the limitations of vanilla approaches and unleash the potential of Soft Thinking. Notably, the Gumbel-Softmax trick provides adequate randomness with controlled smoothness, resulting in superior performance across eight reasoning benchmarks.

  • 7 authors
·
Aug 5, 2025

First Light and Reionisation Epoch Simulations (FLARES) XVII: Learning the galaxy-halo connection at high redshifts

Understanding the galaxy-halo relationship is not only key for elucidating the interplay between baryonic and dark matter, it is essential for creating large mock galaxy catalogues from N-body simulations. High-resolution hydrodynamical simulations are limited to small volumes by their large computational demands, hindering their use for comparisons with wide-field observational surveys. We overcome this limitation by using the First Light and Reionisation Epoch Simulations (FLARES), a suite of high-resolution (M_gas = 1.8 x 10^6 M_Sun) zoom simulations drawn from a large, (3.2 cGpc)^3 box. We use an extremely randomised trees machine learning approach to model the relationship between galaxies and their subhaloes in a wide range of environments. This allows us to build mock catalogues with dynamic ranges that surpass those obtainable through periodic simulations. The low cost of the zoom simulations facilitates multiple runs of the same regions, differing only in the random number seed of the subgrid models; changing this seed introduces a butterfly effect, leading to random differences in the properties of matching galaxies. This randomness cannot be learnt by a deterministic machine learning model, but by sampling the noise and adding it post-facto to our predictions, we are able to recover the distributions of the galaxy properties we predict (stellar mass, star formation rate, metallicity, and size) remarkably well. We also explore the resolution-dependence of our models' performances and find minimal depreciation down to particle resolutions of order M_DM ~ 10^8 M_Sun, enabling the future application of our models to large dark matter-only boxes.

  • 9 authors
·
Oct 31, 2024

The Dead Salmons of AI Interpretability

In a striking neuroscience study, the authors placed a dead salmon in an MRI scanner and showed it images of humans in social situations. Astonishingly, standard analyses of the time reported brain regions predictive of social emotions. The explanation, of course, was not supernatural cognition but a cautionary tale about misapplied statistical inference. In AI interpretability, reports of similar ''dead salmon'' artifacts abound: feature attribution, probing, sparse auto-encoding, and even causal analyses can produce plausible-looking explanations for randomly initialized neural networks. In this work, we examine this phenomenon and argue for a pragmatic statistical-causal reframing: explanations of computational systems should be treated as parameters of a (statistical) model, inferred from computational traces. This perspective goes beyond simply measuring statistical variability of explanations due to finite sampling of input data; interpretability methods become statistical estimators, and findings should be tested against explicit and meaningful alternative computational hypotheses, with uncertainty quantified with respect to the postulated statistical model. It also highlights important theoretical issues, such as the identifiability of common interpretability queries, which we argue is critical to understand the field's susceptibility to false discoveries, poor generalizability, and high variance. More broadly, situating interpretability within the standard toolkit of statistical inference opens promising avenues for future work aimed at turning AI interpretability into a pragmatic and rigorous science.

  • 4 authors
·
Dec 21, 2025

Stochastic CHAOS: Why Deterministic Inference Kills, and Distributional Variability Is the Heartbeat of Artifical Cognition

Deterministic inference is a comforting ideal in classical software: the same program on the same input should always produce the same output. As large language models move into real-world deployment, this ideal has been imported wholesale into inference stacks. Recent work from the Thinking Machines Lab has presented a detailed analysis of nondeterminism in LLM inference, showing how batch-invariant kernels and deterministic attention can enforce bitwise-identical outputs, positioning deterministic inference as a prerequisite for reproducibility and enterprise reliability. In this paper, we take the opposite stance. We argue that, for LLMs, deterministic inference kills. It kills the ability to model uncertainty, suppresses emergent abilities, collapses reasoning into a single brittle path, and weakens safety alignment by hiding tail risks. LLMs implement conditional distributions over outputs, not fixed functions. Collapsing these distributions to a single canonical completion may appear reassuring, but it systematically conceals properties central to artificial cognition. We instead advocate Stochastic CHAOS, treating distributional variability as a signal to be measured and controlled. Empirically, we show that deterministic inference is systematically misleading. Single-sample deterministic evaluation underestimates both capability and fragility, masking failure probability under paraphrases and noise. Phase-like transitions associated with emergent abilities disappear under greedy decoding. Multi-path reasoning degrades when forced onto deterministic backbones, reducing accuracy and diagnostic insight. Finally, deterministic evaluation underestimates safety risk by hiding rare but dangerous behaviors that appear only under multi-sample evaluation.

  • 10 authors
·
Jan 12 2

Blackbox Model Provenance via Palimpsestic Membership Inference

Suppose Alice trains an open-weight language model and Bob uses a blackbox derivative of Alice's model to produce text. Can Alice prove that Bob is using her model, either by querying Bob's derivative model (query setting) or from the text alone (observational setting)? We formulate this question as an independence testing problem--in which the null hypothesis is that Bob's model or text is independent of Alice's randomized training run--and investigate it through the lens of palimpsestic memorization in language models: models are more likely to memorize data seen later in training, so we can test whether Bob is using Alice's model using test statistics that capture correlation between Bob's model or text and the ordering of training examples in Alice's training run. If Alice has randomly shuffled her training data, then any significant correlation amounts to exactly quantifiable statistical evidence against the null hypothesis, regardless of the composition of Alice's training data. In the query setting, we directly estimate (via prompting) the likelihood Bob's model gives to Alice's training examples and order; we correlate the likelihoods of over 40 fine-tunes of various Pythia and OLMo base models ranging from 1B to 12B parameters with the base model's training data order, achieving a p-value on the order of at most 1e-8 in all but six cases. In the observational setting, we try two approaches based on estimating 1) the likelihood of Bob's text overlapping with spans of Alice's training examples and 2) the likelihood of Bob's text with respect to different versions of Alice's model we obtain by repeating the last phase (e.g., 1%) of her training run on reshuffled data. The second approach can reliably distinguish Bob's text from as little as a few hundred tokens; the first does not involve any retraining but requires many more tokens (several hundred thousand) to achieve high power.

  • 6 authors
·
Oct 22, 2025

How Powerful are Shallow Neural Networks with Bandlimited Random Weights?

We investigate the expressive power of depth-2 bandlimited random neural networks. A random net is a neural network where the hidden layer parameters are frozen with random assignment, and only the output layer parameters are trained by loss minimization. Using random weights for a hidden layer is an effective method to avoid non-convex optimization in standard gradient descent learning. It has also been adopted in recent deep learning theories. Despite the well-known fact that a neural network is a universal approximator, in this study, we mathematically show that when hidden parameters are distributed in a bounded domain, the network may not achieve zero approximation error. In particular, we derive a new nontrivial approximation error lower bound. The proof utilizes the technique of ridgelet analysis, a harmonic analysis method designed for neural networks. This method is inspired by fundamental principles in classical signal processing, specifically the idea that signals with limited bandwidth may not always be able to perfectly recreate the original signal. We corroborate our theoretical results with various simulation studies, and generally, two main take-home messages are offered: (i) Not any distribution for selecting random weights is feasible to build a universal approximator; (ii) A suitable assignment of random weights exists but to some degree is associated with the complexity of the target function.

  • 5 authors
·
Aug 19, 2020

An information theoretic necessary condition for perfect reconstruction

A new information theoretic condition is presented for reconstructing a discrete random variable X based on the knowledge of a set of discrete functions of X. The reconstruction condition is derived from Shannon's 1953 lattice theory with two entropic metrics of Shannon and Rajski. Because such a theoretical material is relatively unknown and appears quite dispersed in different references, we first provide a synthetic description (with complete proofs) of its concepts, such as total, common and complementary informations. Definitions and properties of the two entropic metrics are also fully detailed and shown compatible with the lattice structure. A new geometric interpretation of such a lattice structure is then investigated that leads to a necessary (and sometimes sufficient) condition for reconstructing the discrete random variable X given a set { X_1,ldots,X_{n} } of elements in the lattice generated by X. Finally, this condition is illustrated in five specific examples of perfect reconstruction problems: reconstruction of a symmetric random variable from the knowledge of its sign and absolute value, reconstruction of a word from a set of linear combinations, reconstruction of an integer from its prime signature (fundamental theorem of arithmetic) and from its remainders modulo a set of coprime integers (Chinese remainder theorem), and reconstruction of the sorting permutation of a list from a minimal set of pairwise comparisons.

  • 5 authors
·
Jun 27, 2023

Reasoning or Memorization? Unreliable Results of Reinforcement Learning Due to Data Contamination

The reasoning capabilities of large language models (LLMs) have been a longstanding focus of research. Recent works have further enhanced these capabilities using reinforcement learning (RL), with many new methods claiming significant improvements with minimal or no external supervision. Surprisingly, some studies even suggest that random or incorrect reward signals can enhance reasoning performance. However, these breakthroughs are mostly reported on the Qwen2.5 model family and evaluated on well-known benchmarks such as MATH-500, AMC, and AIME, while failing to achieve similar gains on other models like Llama, which warrants further investigation. Our analysis shows that although Qwen2.5 achieves strong mathematical reasoning performance, its pretraining on large-scale web corpora makes it vulnerable to data contamination in popular benchmarks. As a result, results derived from these benchmarks may be unreliable. To address this, we introduce a generator that produces fully synthetic arithmetic problems of arbitrary length and difficulty, yielding a clean dataset we call RandomCalculation. Using these leakage-free datasets, we show that only accurate reward signals consistently improve performance, while noisy or incorrect signals do not. We advocate for evaluating RL methods on uncontaminated benchmarks and across diverse model families to ensure trustworthy conclusions.

  • 12 authors
·
Jul 14, 2025 3

Zero-Shot Statistical Tests for LLM-Generated Text Detection using Finite Sample Concentration Inequalities

Verifying the provenance of content is crucial to the function of many organizations, e.g., educational institutions, social media platforms, firms, etc. This problem is becoming increasingly difficult as text generated by Large Language Models (LLMs) becomes almost indistinguishable from human-generated content. In addition, many institutions utilize in-house LLMs and want to ensure that external, non-sanctioned LLMs do not produce content within the institution. In this paper, we answer the following question: Given a piece of text, can we identify whether it was produced by LLM A or B (where B can be a human)? We model LLM-generated text as a sequential stochastic process with complete dependence on history and design zero-shot statistical tests to distinguish between (i) the text generated by two different sets of LLMs A (in-house) and B (non-sanctioned) and also (ii) LLM-generated and human-generated texts. We prove that the type I and type II errors for our tests decrease exponentially in the text length. In designing our tests, we derive concentration inequalities on the difference between log-perplexity and the average entropy of the string under A. Specifically, for a given string, we demonstrate that if the string is generated by A, the log-perplexity of the string under A converges to the average entropy of the string under A, except with an exponentially small probability in string length. We also show that if B generates the text, except with an exponentially small probability in string length, the log-perplexity of the string under A converges to the average cross-entropy of B and A. Lastly, we present preliminary experimental results to support our theoretical results. By enabling guaranteed (with high probability) finding of the origin of harmful LLM-generated text with arbitrary size, we can help combat misinformation.

  • 4 authors
·
Jan 4, 2025

Utility-Probability Duality of Neural Networks

It is typically understood that the training of modern neural networks is a process of fitting the probability distribution of desired output. However, recent paradoxical observations in a number of language generation tasks let one wonder if this canonical probability-based explanation can really account for the empirical success of deep learning. To resolve this issue, we propose an alternative utility-based explanation to the standard supervised learning procedure in deep learning. The basic idea is to interpret the learned neural network not as a probability model but as an ordinal utility function that encodes the preference revealed in training data. In this perspective, training of the neural network corresponds to a utility learning process. Specifically, we show that for all neural networks with softmax outputs, the SGD learning dynamic of maximum likelihood estimation (MLE) can be seen as an iteration process that optimizes the neural network toward an optimal utility function. This utility-based interpretation can explain several otherwise-paradoxical observations about the neural networks thus trained. Moreover, our utility-based theory also entails an equation that can transform the learned utility values back to a new kind of probability estimation with which probability-compatible decision rules enjoy dramatic (double-digits) performance improvements. These evidences collectively reveal a phenomenon of utility-probability duality in terms of what modern neural networks are (truly) modeling: We thought they are one thing (probabilities), until the unexplainable showed up; changing mindset and treating them as another thing (utility values) largely reconcile the theory, despite remaining subtleties regarding its original (probabilistic) identity.

  • 2 authors
·
May 24, 2023

Locally Typical Sampling

Today's probabilistic language generators fall short when it comes to producing coherent and fluent text despite the fact that the underlying models perform well under standard metrics, e.g., perplexity. This discrepancy has puzzled the language generation community for the last few years. In this work, we posit that the abstraction of natural language generation as a discrete stochastic process--which allows for an information-theoretic analysis--can provide new insights into the behavior of probabilistic language generators, e.g., why high-probability texts can be dull or repetitive. Humans use language as a means of communicating information, aiming to do so in a simultaneously efficient and error-minimizing manner; in fact, psycholinguistics research suggests humans choose each word in a string with this subconscious goal in mind. We formally define the set of strings that meet this criterion: those for which each word has an information content close to the expected information content, i.e., the conditional entropy of our model. We then propose a simple and efficient procedure for enforcing this criterion when generating from probabilistic models, which we call locally typical sampling. Automatic and human evaluations show that, in comparison to nucleus and top-k sampling, locally typical sampling offers competitive performance (in both abstractive summarization and story generation) in terms of quality while consistently reducing degenerate repetitions.

  • 4 authors
·
Feb 1, 2022 1

Embers of Autoregression: Understanding Large Language Models Through the Problem They are Trained to Solve

The widespread adoption of large language models (LLMs) makes it important to recognize their strengths and limitations. We argue that in order to develop a holistic understanding of these systems we need to consider the problem that they were trained to solve: next-word prediction over Internet text. By recognizing the pressures that this task exerts we can make predictions about the strategies that LLMs will adopt, allowing us to reason about when they will succeed or fail. This approach - which we call the teleological approach - leads us to identify three factors that we hypothesize will influence LLM accuracy: the probability of the task to be performed, the probability of the target output, and the probability of the provided input. We predict that LLMs will achieve higher accuracy when these probabilities are high than when they are low - even in deterministic settings where probability should not matter. To test our predictions, we evaluate two LLMs (GPT-3.5 and GPT-4) on eleven tasks, and we find robust evidence that LLMs are influenced by probability in the ways that we have hypothesized. In many cases, the experiments reveal surprising failure modes. For instance, GPT-4's accuracy at decoding a simple cipher is 51% when the output is a high-probability word sequence but only 13% when it is low-probability. These results show that AI practitioners should be careful about using LLMs in low-probability situations. More broadly, we conclude that we should not evaluate LLMs as if they are humans but should instead treat them as a distinct type of system - one that has been shaped by its own particular set of pressures.

  • 5 authors
·
Sep 24, 2023

Large Language Model-Powered Smart Contract Vulnerability Detection: New Perspectives

This paper provides a systematic analysis of the opportunities, challenges, and potential solutions of harnessing Large Language Models (LLMs) such as GPT-4 to dig out vulnerabilities within smart contracts based on our ongoing research. For the task of smart contract vulnerability detection, achieving practical usability hinges on identifying as many true vulnerabilities as possible while minimizing the number of false positives. Nonetheless, our empirical study reveals contradictory yet interesting findings: generating more answers with higher randomness largely boosts the likelihood of producing a correct answer but inevitably leads to a higher number of false positives. To mitigate this tension, we propose an adversarial framework dubbed GPTLens that breaks the conventional one-stage detection into two synergistic stages - generation and discrimination, for progressive detection and refinement, wherein the LLM plays dual roles, i.e., auditor and critic, respectively. The goal of auditor is to yield a broad spectrum of vulnerabilities with the hope of encompassing the correct answer, whereas the goal of critic that evaluates the validity of identified vulnerabilities is to minimize the number of false positives. Experimental results and illustrative examples demonstrate that auditor and critic work together harmoniously to yield pronounced improvements over the conventional one-stage detection. GPTLens is intuitive, strategic, and entirely LLM-driven without relying on specialist expertise in smart contracts, showcasing its methodical generality and potential to detect a broad spectrum of vulnerabilities. Our code is available at: https://github.com/git-disl/GPTLens.

  • 5 authors
·
Oct 2, 2023

Deep Probability Estimation

Reliable probability estimation is of crucial importance in many real-world applications where there is inherent (aleatoric) uncertainty. Probability-estimation models are trained on observed outcomes (e.g. whether it has rained or not, or whether a patient has died or not), because the ground-truth probabilities of the events of interest are typically unknown. The problem is therefore analogous to binary classification, with the difference that the objective is to estimate probabilities rather than predicting the specific outcome. This work investigates probability estimation from high-dimensional data using deep neural networks. There exist several methods to improve the probabilities generated by these models but they mostly focus on model (epistemic) uncertainty. For problems with inherent uncertainty, it is challenging to evaluate performance without access to ground-truth probabilities. To address this, we build a synthetic dataset to study and compare different computable metrics. We evaluate existing methods on the synthetic data as well as on three real-world probability estimation tasks, all of which involve inherent uncertainty: precipitation forecasting from radar images, predicting cancer patient survival from histopathology images, and predicting car crashes from dashcam videos. We also give a theoretical analysis of a model for high-dimensional probability estimation which reproduces several of the phenomena evinced in our experiments. Finally, we propose a new method for probability estimation using neural networks, which modifies the training process to promote output probabilities that are consistent with empirical probabilities computed from the data. The method outperforms existing approaches on most metrics on the simulated as well as real-world data.

  • 11 authors
·
Nov 20, 2021

Analysis on Riemann Hypothesis with Cross Entropy Optimization and Reasoning

In this paper, we present a novel framework for the analysis of Riemann Hypothesis [27], which is composed of three key components: a) probabilistic modeling with cross entropy optimization and reasoning; b) the application of the law of large numbers; c) the application of mathematical inductions. The analysis is mainly conducted by virtue of probabilistic modeling of cross entropy optimization and reasoning with rare event simulation techniques. The application of the law of large numbers [2, 3, 6] and the application of mathematical inductions make the analysis of Riemann Hypothesis self-contained and complete to make sure that the whole complex plane is covered as conjectured in Riemann Hypothesis. We also discuss the method of enhanced top-p sampling with large language models (LLMs) for reasoning, where next token prediction is not just based on the estimated probabilities of each possible token in the current round but also based on accumulated path probabilities among multiple top-k chain of thoughts (CoTs) paths. The probabilistic modeling of cross entropy optimization and reasoning may suit well with the analysis of Riemann Hypothesis as Riemann Zeta functions are inherently dealing with the sums of infinite components of a complex number series. We hope that our analysis in this paper could shed some light on some of the insights of Riemann Hypothesis. The framework and techniques presented in this paper, coupled with recent developments with chain of thought (CoT) or diagram of thought (DoT) reasoning in large language models (LLMs) with reinforcement learning (RL) [1, 7, 18, 21, 24, 34, 39-41], could pave the way for eventual proof of Riemann Hypothesis [27].

  • 2 authors
·
Sep 29, 2024

Dense Hebbian neural networks: a replica symmetric picture of supervised learning

We consider dense, associative neural-networks trained by a teacher (i.e., with supervision) and we investigate their computational capabilities analytically, via statistical-mechanics of spin glasses, and numerically, via Monte Carlo simulations. In particular, we obtain a phase diagram summarizing their performance as a function of the control parameters such as quality and quantity of the training dataset, network storage and noise, that is valid in the limit of large network size and structureless datasets: these networks may work in a ultra-storage regime (where they can handle a huge amount of patterns, if compared with shallow neural networks) or in a ultra-detection regime (where they can perform pattern recognition at prohibitive signal-to-noise ratios, if compared with shallow neural networks). Guided by the random theory as a reference framework, we also test numerically learning, storing and retrieval capabilities shown by these networks on structured datasets as MNist and Fashion MNist. As technical remarks, from the analytic side, we implement large deviations and stability analysis within Guerra's interpolation to tackle the not-Gaussian distributions involved in the post-synaptic potentials while, from the computational counterpart, we insert Plefka approximation in the Monte Carlo scheme, to speed up the evaluation of the synaptic tensors, overall obtaining a novel and broad approach to investigate supervised learning in neural networks, beyond the shallow limit, in general.

  • 8 authors
·
Nov 25, 2022

Chaos as an interpretable benchmark for forecasting and data-driven modelling

The striking fractal geometry of strange attractors underscores the generative nature of chaos: like probability distributions, chaotic systems can be repeatedly measured to produce arbitrarily-detailed information about the underlying attractor. Chaotic systems thus pose a unique challenge to modern statistical learning techniques, while retaining quantifiable mathematical properties that make them controllable and interpretable as benchmarks. Here, we present a growing database currently comprising 131 known chaotic dynamical systems spanning fields such as astrophysics, climatology, and biochemistry. Each system is paired with precomputed multivariate and univariate time series. Our dataset has comparable scale to existing static time series databases; however, our systems can be re-integrated to produce additional datasets of arbitrary length and granularity. Our dataset is annotated with known mathematical properties of each system, and we perform feature analysis to broadly categorize the diverse dynamics present across the collection. Chaotic systems inherently challenge forecasting models, and across extensive benchmarks we correlate forecasting performance with the degree of chaos present. We also exploit the unique generative properties of our dataset in several proof-of-concept experiments: surrogate transfer learning to improve time series classification, importance sampling to accelerate model training, and benchmarking symbolic regression algorithms.

  • 1 authors
·
Oct 11, 2021

Preserving Statistical Validity in Adaptive Data Analysis

A great deal of effort has been devoted to reducing the risk of spurious scientific discoveries, from the use of sophisticated validation techniques, to deep statistical methods for controlling the false discovery rate in multiple hypothesis testing. However, there is a fundamental disconnect between the theoretical results and the practice of data analysis: the theory of statistical inference assumes a fixed collection of hypotheses to be tested, or learning algorithms to be applied, selected non-adaptively before the data are gathered, whereas in practice data is shared and reused with hypotheses and new analyses being generated on the basis of data exploration and the outcomes of previous analyses. In this work we initiate a principled study of how to guarantee the validity of statistical inference in adaptive data analysis. As an instance of this problem, we propose and investigate the question of estimating the expectations of m adaptively chosen functions on an unknown distribution given n random samples. We show that, surprisingly, there is a way to estimate an exponential in n number of expectations accurately even if the functions are chosen adaptively. This gives an exponential improvement over standard empirical estimators that are limited to a linear number of estimates. Our result follows from a general technique that counter-intuitively involves actively perturbing and coordinating the estimates, using techniques developed for privacy preservation. We give additional applications of this technique to our question.

  • 6 authors
·
Nov 10, 2014

What can a Single Attention Layer Learn? A Study Through the Random Features Lens

Attention layers -- which map a sequence of inputs to a sequence of outputs -- are core building blocks of the Transformer architecture which has achieved significant breakthroughs in modern artificial intelligence. This paper presents a rigorous theoretical study on the learning and generalization of a single multi-head attention layer, with a sequence of key vectors and a separate query vector as input. We consider the random feature setting where the attention layer has a large number of heads, with randomly sampled frozen query and key matrices, and trainable value matrices. We show that such a random-feature attention layer can express a broad class of target functions that are permutation invariant to the key vectors. We further provide quantitative excess risk bounds for learning these target functions from finite samples, using random feature attention with finitely many heads. Our results feature several implications unique to the attention structure compared with existing random features theory for neural networks, such as (1) Advantages in the sample complexity over standard two-layer random-feature networks; (2) Concrete and natural classes of functions that can be learned efficiently by a random-feature attention layer; and (3) The effect of the sampling distribution of the query-key weight matrix (the product of the query and key matrix), where Gaussian random weights with a non-zero mean result in better sample complexities over the zero-mean counterpart for learning certain natural target functions. Experiments on simulated data corroborate our theoretical findings and further illustrate the interplay between the sample size and the complexity of the target function.

  • 4 authors
·
Jul 21, 2023

On the Mechanism and Dynamics of Modular Addition: Fourier Features, Lottery Ticket, and Grokking

We present a comprehensive analysis of how two-layer neural networks learn features to solve the modular addition task. Our work provides a full mechanistic interpretation of the learned model and a theoretical explanation of its training dynamics. While prior work has identified that individual neurons learn single-frequency Fourier features and phase alignment, it does not fully explain how these features combine into a global solution. We bridge this gap by formalizing a diversification condition that emerges during training when overparametrized, consisting of two parts: phase symmetry and frequency diversification. We prove that these properties allow the network to collectively approximate a flawed indicator function on the correct logic for the modular addition task. While individual neurons produce noisy signals, the phase symmetry enables a majority-voting scheme that cancels out noise, allowing the network to robustly identify the correct sum. Furthermore, we explain the emergence of these features under random initialization via a lottery ticket mechanism. Our gradient flow analysis proves that frequencies compete within each neuron, with the "winner" determined by its initial spectral magnitude and phase alignment. From a technical standpoint, we provide a rigorous characterization of the layer-wise phase coupling dynamics and formalize the competitive landscape using the ODE comparison lemma. Finally, we use these insights to demystify grokking, characterizing it as a three-stage process involving memorization followed by two generalization phases, driven by the competition between loss minimization and weight decay.

Experts Don't Cheat: Learning What You Don't Know By Predicting Pairs

Identifying how much a model {p}_{theta}(Y|X) knows about the stochastic real-world process p(Y|X) it was trained on is important to ensure it avoids producing incorrect or "hallucinated" answers or taking unsafe actions. But this is difficult for generative models because probabilistic predictions do not distinguish between per-response noise (aleatoric uncertainty) and lack of knowledge about the process (epistemic uncertainty), and existing epistemic uncertainty quantification techniques tend to be overconfident when the model underfits. We propose a general strategy for teaching a model to both approximate p(Y|X) and also estimate the remaining gaps between {p}_{theta}(Y|X) and p(Y|X): train it to predict pairs of independent responses drawn from the true conditional distribution, allow it to "cheat" by observing one response while predicting the other, then measure how much it cheats. Remarkably, we prove that being good at cheating (i.e. cheating whenever it improves your prediction) is equivalent to being second-order calibrated, a principled extension of ordinary calibration that allows us to construct provably-correct frequentist confidence intervals for p(Y|X) and detect incorrect responses with high probability. We demonstrate empirically that our approach accurately estimates how much models don't know across ambiguous image classification, (synthetic) language modeling, and partially-observable navigation tasks, outperforming existing techniques.

  • 4 authors
·
Feb 13, 2024

On the Provable Advantage of Unsupervised Pretraining

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.

  • 4 authors
·
Mar 2, 2023

Solving Diffusion ODEs with Optimal Boundary Conditions for Better Image Super-Resolution

Diffusion models, as a kind of powerful generative model, have given impressive results on image super-resolution (SR) tasks. However, due to the randomness introduced in the reverse process of diffusion models, the performances of diffusion-based SR models are fluctuating at every time of sampling, especially for samplers with few resampled steps. This inherent randomness of diffusion models results in ineffectiveness and instability, making it challenging for users to guarantee the quality of SR results. However, our work takes this randomness as an opportunity: fully analyzing and leveraging it leads to the construction of an effective plug-and-play sampling method that owns the potential to benefit a series of diffusion-based SR methods. More in detail, we propose to steadily sample high-quality SR images from pre-trained diffusion-based SR models by solving diffusion ordinary differential equations (diffusion ODEs) with optimal boundary conditions (BCs) and analyze the characteristics between the choices of BCs and their corresponding SR results. Our analysis shows the route to obtain an approximately optimal BC via an efficient exploration in the whole space. The quality of SR results sampled by the proposed method with fewer steps outperforms the quality of results sampled by current methods with randomness from the same pre-trained diffusion-based SR model, which means that our sampling method "boosts" current diffusion-based SR models without any additional training.

  • 5 authors
·
May 24, 2023

Instruct-SkillMix: A Powerful Pipeline for LLM Instruction Tuning

We introduce Instruct-SkillMix, an automated approach for creating diverse, high quality SFT data. The Instruct-SkillMix pipeline involves two stages, each leveraging an existing powerful LLM: (1) Skill extraction: uses the LLM to extract core "skills" for instruction-following, either from existing datasets, or by directly prompting the model; (2) Data generation: uses the powerful LLM to generate (instruction, response) data that exhibit a randomly chosen pair of these skills. Here, the use of random skill combinations promotes diversity and difficulty. Vanilla SFT (i.e., no PPO, DPO, or RL methods) on data generated from Instruct-SkillMix leads to strong gains on instruction following benchmarks such as AlpacaEval 2.0, MT-Bench, and WildBench. With just 4K examples, LLaMA-3-8B-Base achieves 42.76% length-controlled win rate on AlpacaEval 2.0. To our knowledge, this achieves state-of-the-art performance among all models that have only undergone SFT (no RL methods) and competes with proprietary models such as Claude 3 Opus and LLaMA-3.1-405B-Instruct. Ablation studies also suggest plausible reasons for why creating open instruction-tuning datasets via naive crowd-sourcing has proved difficult. Introducing low quality answers ("shirkers") in 20% of Instruct-SkillMix examples causes performance to plummet, sometimes catastrophically. The Instruct-SkillMix pipeline is flexible and is adaptable to other settings.

  • 4 authors
·
Aug 27, 2024

Intriguing Properties of Adversarial Examples

It is becoming increasingly clear that many machine learning classifiers are vulnerable to adversarial examples. In attempting to explain the origin of adversarial examples, previous studies have typically focused on the fact that neural networks operate on high dimensional data, they overfit, or they are too linear. Here we argue that the origin of adversarial examples is primarily due to an inherent uncertainty that neural networks have about their predictions. We show that the functional form of this uncertainty is independent of architecture, dataset, and training protocol; and depends only on the statistics of the logit differences of the network, which do not change significantly during training. This leads to adversarial error having a universal scaling, as a power-law, with respect to the size of the adversarial perturbation. We show that this universality holds for a broad range of datasets (MNIST, CIFAR10, ImageNet, and random data), models (including state-of-the-art deep networks, linear models, adversarially trained networks, and networks trained on randomly shuffled labels), and attacks (FGSM, step l.l., PGD). Motivated by these results, we study the effects of reducing prediction entropy on adversarial robustness. Finally, we study the effect of network architectures on adversarial sensitivity. To do this, we use neural architecture search with reinforcement learning to find adversarially robust architectures on CIFAR10. Our resulting architecture is more robust to white and black box attacks compared to previous attempts.

  • 4 authors
·
Nov 8, 2017

Approaching an unknown communication system by latent space exploration and causal inference

This paper proposes a methodology for discovering meaningful properties in data by exploring the latent space of unsupervised deep generative models. We combine manipulation of individual latent variables to extreme values with methods inspired by causal inference into an approach we call causal disentanglement with extreme values (CDEV) and show that this method yields insights for model interpretability. With this, we can test for what properties of unknown data the model encodes as meaningful, using it to glean insight into the communication system of sperm whales (Physeter macrocephalus), one of the most intriguing and understudied animal communication systems. The network architecture used has been shown to learn meaningful representations of speech; here, it is used as a learning mechanism to decipher the properties of another vocal communication system in which case we have no ground truth. The proposed methodology suggests that sperm whales encode information using the number of clicks in a sequence, the regularity of their timing, and audio properties such as the spectral mean and the acoustic regularity of the sequences. Some of these findings are consistent with existing hypotheses, while others are proposed for the first time. We also argue that our models uncover rules that govern the structure of units in the communication system and apply them while generating innovative data not shown during training. This paper suggests that an interpretation of the outputs of deep neural networks with causal inference methodology can be a viable strategy for approaching data about which little is known and presents another case of how deep learning can limit the hypothesis space. Finally, the proposed approach can be extended to other architectures and datasets.