arXiv subjects

Preetum Nakkiran

Publications and source records attributed to Preetum Nakkiran.

At least 19 recordsLinked to original sources

arXiv2026

Annotations Mitigate Post-Training Mode Collapse

Post-training (via supervised fine-tuning) improves instruction-following, but often induces semantic mode collapse by biasing models toward low-entropy fine-tuning data at the expense of the high-entropy pretraining distribution. Crucially, we find this trade-off worsens with scale. To close this semantic diversity gap, we propose annotation-anchored training, a principled method that enables models to adopt the preference-following behaviors of post-training without sacrificing the inherent diversity of pretraining. Our approach is simple: we pretrain on documents paired with semantic annotations, inducing a rich annotation distribution that reflects the full breadth of pretraining data, and we preserve this distribution during post-training. This lets us sample diverse annotations at inference time and use them as anchors to guide generation, effectively transferring pretraining's semantic richness into post-trained models. We find that models trained with annotation-anchored training can attain $6 \times$ less diversity collapse than models trained with SFT, and improve with scale.

cs.CL↗

arXiv2025

Trained on Tokens, Calibrated on Concepts: The Emergence of Semantic Calibration in LLMs

Large Language Models (LLMs) often lack meaningful confidence estimates for their outputs. While base LLMs are known to exhibit next-token calibration, it remains unclear whether they can assess confidence in the actual meaning of their responses beyond the token level. We find that, when using a certain sampling-based notion of semantic calibration, base LLMs are remarkably well-calibrated: they can meaningfully assess confidence in open-domain question-answering tasks, despite not being explicitly trained to do so. Our main theoretical contribution establishes a mechanism for why semantic calibration emerges as a byproduct of next-token prediction, leveraging a recent connection between calibration and local loss optimality. The theory relies on a general definition of "B-calibration," which is a notion of calibration parameterized by a choice of equivalence classes (semantic or otherwise). This theoretical mechanism leads to a testable prediction: base LLMs will be semantically calibrated when they can easily predict their own distribution over semantic answer classes before generating a response. We state three implications of this prediction, which we validate through experiments: (1) Base LLMs are semantically calibrated across question-answering tasks, (2) RL instruction-tuning systematically breaks this calibration, and (3) chain-of-thought reasoning breaks calibration. To our knowledge, our work provides the first principled explanation of when and why semantic calibration emerges in LLMs.

cs.CL↗

arXiv2025

Trace Length is a Simple Uncertainty Signal in Reasoning Models

Uncertainty quantification for LLMs is a key research direction towards addressing hallucination and other issues that limit their reliable deployment. In this work, we show that reasoning trace length is a simple and useful confidence estimator in large reasoning models. Through comprehensive experiments across multiple models, datasets, and prompts, we show that trace length performs in comparable but complementary ways to other zero-shot confidence estimators such as verbalized confidence. Our work reveals that reasoning post-training fundamentally alters the relationship between trace length and accuracy, going beyond prior work that had shown that post-training causes traces to grow longer in general (e.g., "overthinking"). We investigate the mechanisms behind trace length's performance as a confidence signal, observing that the effect remains even after adjusting for confounders such as problem difficulty and GRPO-induced length bias. We identify high-entropy or "forking" tokens as playing a key role in the mechanism. Our findings demonstrate that reasoning post-training enhances uncertainty quantification beyond verbal expressions, and establish trace length as a practical confidence measure for large reasoning models.

cs.AI↗

arXiv2025

Mechanisms of Projective Composition of Diffusion Models

We study the theoretical foundations of composition in diffusion models, with a particular focus on out-of-distribution extrapolation and length-generalization. Prior work has shown that composing distributions via linear score combination can achieve promising results, including length-generalization in some cases (Du et al., 2023; Liu et al., 2022). However, our theoretical understanding of how and why such compositions work remains incomplete. In fact, it is not even entirely clear what it means for composition to "work". This paper starts to address these fundamental gaps. We begin by precisely defining one possible desired result of composition, which we call projective composition. Then, we investigate: (1) when linear score combinations provably achieve projective composition, (2) whether reverse-diffusion sampling can generate the desired composition, and (3) the conditions under which composition fails. We connect our theoretical analysis to prior empirical observations where composition has either worked or failed, for reasons that were unclear at the time. Finally, we propose a simple heuristic to help predict the success or failure of new compositions.

cs.LG↗

arXiv2025

Normalizing Flows are Capable Generative Models

Normalizing Flows (NFs) are likelihood-based models for continuous inputs. They have demonstrated promising results on both density estimation and generative modeling tasks, but have received relatively little attention in recent years. In this work, we demonstrate that NFs are more powerful than previously believed. We present TarFlow: a simple and scalable architecture that enables highly performant NF models. TarFlow can be thought of as a Transformer-based variant of Masked Autoregressive Flows (MAFs): it consists of a stack of autoregressive Transformer blocks on image patches, alternating the autoregression direction between layers. TarFlow is straightforward to train end-to-end, and capable of directly modeling and generating pixels. We also propose three key techniques to improve sample quality: Gaussian noise augmentation during training, a post training denoising procedure, and an effective guidance method for both class-conditional and unconditional settings. Putting these together, TarFlow sets new state-of-the-art results on likelihood estimation for images, beating the previous best methods by a large margin, and generates samples with quality and diversity comparable to diffusion models, for the first time with a stand-alone NF model. We make our code available at https://github.com/apple/ml-tarflow.

cs.CV↗

arXiv2025

A Formal Framework for Understanding Length Generalization in Transformers

A major challenge for transformers is generalizing to sequences longer than those observed during training. While previous works have empirically shown that transformers can either succeed or fail at length generalization depending on the task, theoretical understanding of this phenomenon remains limited. In this work, we introduce a rigorous theoretical framework to analyze length generalization in causal transformers with learnable absolute positional encodings. In particular, we characterize those functions that are identifiable in the limit from sufficiently long inputs with absolute positional encodings under an idealized inference scheme using a norm-based regularizer. This enables us to prove the possibility of length generalization for a rich family of problems. We experimentally validate the theory as a predictor of success and failure of length generalization across a range of algorithmic and formal language tasks. Our theory not only explains a broad set of empirical observations but also opens the way to provably predicting length generalization capabilities in transformers.

cs.LG↗

arXiv2025

Composition and Control with Distilled Energy Diffusion Models and Sequential Monte Carlo

Diffusion models may be formulated as a time-indexed sequence of energy-based models, where the score corresponds to the negative gradient of an energy function. As opposed to learning the score directly, an energy parameterization is attractive as the energy itself can be used to control generation via Monte Carlo samplers. Architectural constraints and training instability in energy parameterized models have so far yielded inferior performance compared to directly approximating the score or denoiser. We address these deficiencies by introducing a novel training regime for the energy function through distillation of pre-trained diffusion models, resembling a Helmholtz decomposition of the score vector field. We further showcase the synergies between energy and score by casting the diffusion sampling procedure as a Feynman Kac model where sampling is controlled using potentials from the learnt energy functions. The Feynman Kac model formalism enables composition and low temperature sampling through sequential Monte Carlo.

stat.ML↗

arXiv2024

When is Multicalibration Post-Processing Necessary?

Calibration is a well-studied property of predictors which guarantees meaningful uncertainty estimates. Multicalibration is a related notion -- originating in algorithmic fairness -- which requires predictors to be simultaneously calibrated over a potentially complex and overlapping collection of protected subpopulations (such as groups defined by ethnicity, race, or income). We conduct the first comprehensive study evaluating the usefulness of multicalibration post-processing across a broad set of tabular, image, and language datasets for models spanning from simple decision trees to 90 million parameter fine-tuned LLMs. Our findings can be summarized as follows: (1) models which are calibrated out of the box tend to be relatively multicalibrated without any additional post-processing; (2) multicalibration post-processing can help inherently uncalibrated models and large vision and language models; and (3) traditional calibration measures may sometimes provide multicalibration implicitly. More generally, we also distill many independent observations which may be useful for practical and effective applications of multicalibration post-processing in real-world contexts. We also release a python package implementing multicalibration algorithms, available via `pip install multicalibration'.

cs.LG↗

arXiv2024

Classifier-Free Guidance is a Predictor-Corrector

We investigate the theoretical foundations of classifier-free guidance (CFG). CFG is the dominant method of conditional sampling for text-to-image diffusion models, yet unlike other aspects of diffusion, it remains on shaky theoretical footing. In this paper, we disprove common misconceptions, by showing that CFG interacts differently with DDPM (Ho et al., 2020) and DDIM (Song et al., 2021), and neither sampler with CFG generates the gamma-powered distribution $p(x|c)^γp(x)^{1-γ}$. Then, we clarify the behavior of CFG by showing that it is a kind of predictor-corrector method (Song et al., 2020) that alternates between denoising and sharpening, which we call predictor-corrector guidance (PCG). We prove that in the SDE limit, CFG is actually equivalent to combining a DDIM predictor for the conditional distribution together with a Langevin dynamics corrector for a gamma-powered distribution (with a carefully chosen gamma). Our work thus provides a lens to theoretically understand CFG by embedding it in a broader design space of principled sampling methods.

cs.LG↗

arXiv2024

Benign, Tempered, or Catastrophic: A Taxonomy of Overfitting

The practical success of overparameterized neural networks has motivated the recent scientific study of interpolating methods, which perfectly fit their training data. Certain interpolating methods, including neural networks, can fit noisy training data without catastrophically bad test performance, in defiance of standard intuitions from statistical learning theory. Aiming to explain this, a body of recent work has studied benign overfitting, a phenomenon where some interpolating methods approach Bayes optimality, even in the presence of noise. In this work we argue that while benign overfitting has been instructive and fruitful to study, many real interpolating methods like neural networks do not fit benignly: modest noise in the training set causes nonzero (but non-infinite) excess risk at test time, implying these models are neither benign nor catastrophic but rather fall in an intermediate regime. We call this intermediate regime tempered overfitting, and we initiate its systematic study. We first explore this phenomenon in the context of kernel (ridge) regression (KR) by obtaining conditions on the ridge parameter and kernel eigenspectrum under which KR exhibits each of the three behaviors. We find that kernels with powerlaw spectra, including Laplace kernels and ReLU neural tangent kernels, exhibit tempered overfitting. We then empirically study deep neural networks through the lens of our taxonomy, and find that those trained to interpolation are tempered, while those stopped early are benign. We hope our work leads to a more refined understanding of overfitting in modern learning.

cs.LG↗

arXiv2024

How JEPA Avoids Noisy Features: The Implicit Bias of Deep Linear Self Distillation Networks

Two competing paradigms exist for self-supervised learning of data representations. Joint Embedding Predictive Architecture (JEPA) is a class of architectures in which semantically similar inputs are encoded into representations that are predictive of each other. A recent successful approach that falls under the JEPA framework is self-distillation, where an online encoder is trained to predict the output of the target encoder, sometimes using a lightweight predictor network. This is contrasted with the Masked AutoEncoder (MAE) paradigm, where an encoder and decoder are trained to reconstruct missing parts of the input in the data space rather, than its latent representation. A common motivation for using the JEPA approach over MAE is that the JEPA objective prioritizes abstract features over fine-grained pixel information (which can be unpredictable and uninformative). In this work, we seek to understand the mechanism behind this empirical observation by analyzing the training dynamics of deep linear models. We uncover a surprising mechanism: in a simplified linear setting where both approaches learn similar representations, JEPAs are biased to learn high-influence features, i.e., features characterized by having high regression coefficients. Our results point to a distinct implicit bias of predicting in latent space that may shed light on its success in practice.

cs.LG↗

arXiv2024

Step-by-Step Diffusion: An Elementary Tutorial

We present an accessible first course on diffusion models and flow matching for machine learning, aimed at a technical audience with no diffusion experience. We try to simplify the mathematical details as much as possible (sometimes heuristically), while retaining enough precision to derive correct algorithms.

cs.LG↗

arXiv2024

Vanishing Gradients in Reinforcement Finetuning of Language Models

Pretrained language models are commonly aligned with human preferences and downstream tasks via reinforcement finetuning (RFT), which refers to maximizing a (possibly learned) reward function using policy gradient algorithms. This work identifies a fundamental optimization obstacle in RFT: we prove that the expected gradient for an input vanishes when its reward standard deviation under the model is small, even if the expected reward is far from optimal. Through experiments on an RFT benchmark and controlled environments, as well as a theoretical analysis, we then demonstrate that vanishing gradients due to small reward standard deviation are prevalent and detrimental, leading to extremely slow reward maximization. Lastly, we explore ways to overcome vanishing gradients in RFT. We find the common practice of an initial supervised finetuning (SFT) phase to be the most promising candidate, which sheds light on its importance in an RFT pipeline. Moreover, we show that a relatively small number of SFT optimization steps on as few as 1% of the input samples can suffice, indicating that the initial SFT phase need not be expensive in terms of compute and data labeling efforts. Overall, our results emphasize that being mindful for inputs whose expected gradient vanishes, as measured by the reward standard deviation, is crucial for successful execution of RFT.

cs.LG↗

arXiv2023

Perspectives on the State and Future of Deep Learning - 2023

The goal of this series is to chronicle opinions and issues in the field of machine learning as they stand today and as they change over time. The plan is to host this survey periodically until the AI singularity paperclip-frenzy-driven doomsday, keeping an updated list of topical questions and interviewing new community members for each edition. In this issue, we probed people's opinions on interpretable AI, the value of benchmarking in modern NLP, the state of progress towards understanding deep learning, and the future of academia.

cs.AI↗

arXiv2023

Loss Minimization Yields Multicalibration for Large Neural Networks

Multicalibration is a notion of fairness for predictors that requires them to provide calibrated predictions across a large set of protected groups. Multicalibration is known to be a distinct goal than loss minimization, even for simple predictors such as linear functions. In this work, we consider the setting where the protected groups can be represented by neural networks of size $k$, and the predictors are neural networks of size $n > k$. We show that minimizing the squared loss over all neural nets of size $n$ implies multicalibration for all but a bounded number of unlucky values of $n$. We also give evidence that our bound on the number of unlucky values is tight, given our proof technique. Previously, results of the flavor that loss minimization yields multicalibration were known only for predictors that were near the ground truth, hence were rather limited in applicability. Unlike these, our results rely on the expressivity of neural nets and utilize the representation of the predictor.

cs.LG↗

arXiv2023

When Does Optimizing a Proper Loss Yield Calibration?

Optimizing proper loss functions is popularly believed to yield predictors with good calibration properties; the intuition being that for such losses, the global optimum is to predict the ground-truth probabilities, which is indeed calibrated. However, typical machine learning models are trained to approximately minimize loss over restricted families of predictors, that are unlikely to contain the ground truth. Under what circumstances does optimizing proper loss over a restricted family yield calibrated models? What precise calibration guarantees does it give? In this work, we provide a rigorous answer to these questions. We replace the global optimality with a local optimality condition stipulating that the (proper) loss of the predictor cannot be reduced much by post-processing its predictions with a certain family of Lipschitz functions. We show that any predictor with this local optimality satisfies smooth calibration as defined in Kakade-Foster (2008), Błasiok et al. (2023). Local optimality is plausibly satisfied by well-trained DNNs, which suggests an explanation for why they are calibrated from proper loss minimization alone. Finally, we show that the connection between local optimality and calibration error goes both ways: nearly calibrated predictors are also nearly locally optimal.

cs.LG↗

arXiv2023

LiDAR: Sensing Linear Probing Performance in Joint Embedding SSL Architectures

Joint embedding (JE) architectures have emerged as a promising avenue for acquiring transferable data representations. A key obstacle to using JE methods, however, is the inherent challenge of evaluating learned representations without access to a downstream task, and an annotated dataset. Without efficient and reliable evaluation, it is difficult to iterate on architectural and training choices for JE methods. In this paper, we introduce LiDAR (Linear Discriminant Analysis Rank), a metric designed to measure the quality of representations within JE architectures. Our metric addresses several shortcomings of recent approaches based on feature covariance rank by discriminating between informative and uninformative features. In essence, LiDAR quantifies the rank of the Linear Discriminant Analysis (LDA) matrix associated with the surrogate SSL task -- a measure that intuitively captures the information content as it pertains to solving the SSL task. We empirically demonstrate that LiDAR significantly surpasses naive rank based approaches in its predictive power of optimal hyperparameters. Our proposed criterion presents a more robust and intuitive means of assessing the quality of representations within JE architectures, which we hope facilitates broader adoption of these powerful techniques in various domains.

cs.LG↗

arXiv2023

What Algorithms can Transformers Learn? A Study in Length Generalization

Large language models exhibit surprising emergent generalization properties, yet also struggle on many simple reasoning tasks such as arithmetic and parity. This raises the question of if and when Transformer models can learn the true algorithm for solving a task. We study the scope of Transformers' abilities in the specific setting of length generalization on algorithmic tasks. Here, we propose a unifying framework to understand when and how Transformers can exhibit strong length generalization on a given task. Specifically, we leverage RASP (Weiss et al., 2021) -- a programming language designed for the computational model of a Transformer -- and introduce the RASP-Generalization Conjecture: Transformers tend to length generalize on a task if the task can be solved by a short RASP program which works for all input lengths. This simple conjecture remarkably captures most known instances of length generalization on algorithmic tasks. Moreover, we leverage our insights to drastically improve generalization performance on traditionally hard tasks (such as parity and addition). On the theoretical side, we give a simple example where the "min-degree-interpolator" model of learning from Abbe et al. (2023) does not correctly predict Transformers' out-of-distribution behavior, but our conjecture does. Overall, our work provides a novel perspective on the mechanisms of compositional generalization and the algorithmic capabilities of Transformers.

cs.LG↗