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We present the Insertion Transformer, an iterative, partially autoregressive model for sequence generation based on insertion operations. Unlike typical autoregressive models which rely on a fixed, often left-to-right ordering of the…

Computation and Language · Computer Science 2019-02-12 Mitchell Stern , William Chan , Jamie Kiros , Jakob Uszkoreit

Neural methods of molecule property prediction require efficient encoding of structure and property relationship to be accurate. Recent work using graph algorithms shows limited generalization in the latent molecule encoding space. We build…

Quantitative Methods · Quantitative Biology 2020-11-26 Prateeth Nayak , Andrew Silberfarb , Ran Chen , Tulay Muezzinoglu , John Byrnes

Transformers are deep neural network architectures that underpin the recent successes of large language models. Unlike more classical architectures that can be viewed as point-to-point maps, a Transformer acts as a measure-to-measure map…

Optimization and Control · Mathematics 2026-02-16 Borjan Geshkovski , Philippe Rigollet , Domènec Ruiz-Balet

Transformer models have continuously expanded into all machine learning domains convertible to the underlying sequence-to-sequence representation, including tabular data. However, while ubiquitous, this representation restricts their…

Machine Learning · Computer Science 2025-07-24 Jakub Peleška , Gustav Šír

In spite of their huge success, transformer models remain difficult to scale in depth. In this work, we develop a unified signal propagation theory and provide formulae that govern the moments of the forward and backward signal through the…

Computation and Language · Computer Science 2024-07-19 Akhil Kedia , Mohd Abbas Zaidi , Sushil Khyalia , Jungho Jung , Harshith Goka , Haejun Lee

Structured prompts require integrating components according to task-relevant relations. How a network implements this integration is often hard to judge in language or vision, where those relations are rarely specified precisely enough to…

Machine Learning · Computer Science 2026-05-22 Ishita Darade , Sushrut Thorat

Organic synthesis is one of the key stumbling blocks in medicinal chemistry. A necessary yet unsolved step in planning synthesis is solving the forward problem: given reactants and reagents, predict the products. Similar to other work, we…

Chemical Physics · Physics 2019-09-13 Philippe Schwaller , Teodoro Laino , Théophile Gaudin , Peter Bolgar , Costas Bekas , Alpha A Lee

Conditional masked language model (CMLM) training has proven successful for non-autoregressive and semi-autoregressive sequence generation tasks, such as machine translation. Given a trained CMLM, however, it is not clear what the best…

Computation and Language · Computer Science 2020-10-21 Julia Kreutzer , George Foster , Colin Cherry

Predicting the behavior of a dynamical system from noisy observations of its past outputs is a classical problem encountered across engineering and science. For linear systems with Gaussian inputs, the Kalman filter -- the best linear…

Machine Learning · Computer Science 2026-03-10 Usman Akram , Haris Vikalo

Model predictive control (MPC) has established itself as the primary methodology for constrained control, enabling general-purpose robot autonomy in diverse real-world scenarios. However, for most problems of interest, MPC relies on the…

Transformers have become the foundational architecture for a broad spectrum of sequence modeling applications, underpinning state-of-the-art systems in natural language processing, vision, and beyond. However, their theoretical limitations…

Computation and Language · Computer Science 2026-02-13 Michelle Yuan , Weiyi Sun , Amir H. Rezaeian , Jyotika Singh , Sandip Ghoshal , Yao-Ting Wang , Miguel Ballesteros , Yassine Benajiba

We propose a novel approach to perform approximate Bayesian inference in complex models such as Bayesian neural networks. The approach is more scalable to large data than Markov Chain Monte Carlo, it embraces more expressive models than…

Machine Learning · Statistics 2022-09-07 Joel Janek Dabrowski , Daniel Edward Pagendam

Various optimality properties of universal sequence predictors based on Bayes-mixtures in general, and Solomonoff's prediction scheme in particular, will be studied. The probability of observing $x_t$ at time $t$, given past observations…

Machine Learning · Computer Science 2007-05-23 Marcus Hutter

Steady-state visual evoked potential (SSVEP) is one of the most commonly used control signal in the brain-computer interface (BCI) systems. However, the conventional spatial filtering methods for SSVEP classification highly depend on the…

Neurons and Cognition · Quantitative Biology 2022-10-11 Jianbo Chen , Yangsong Zhang , Yudong Pan , Peng Xu , Cuntai Guan

We investigate transformer prediction of long Collatz steps, a complex arithmetic function that maps odd integers to their distant successors in the Collatz sequence ( $u_{n+1}=u_n/2$ if $u_n$ is even, $u_{n+1}=(3u_n+1)/2$ if $u_n$ is odd).…

Machine Learning · Computer Science 2025-11-17 François Charton , Ashvni Narayanan

Optimal designs minimize the number of experimental runs (samples) needed to accurately estimate model parameters, resulting in algorithms that, for instance, efficiently minimize parameter estimate variance. Governed by knowledge of past…

Methodology · Statistics 2023-02-03 Nicholas W. Barendregt , Emily G. Webb , Zachary P. Kilpatrick

We propose a new model for multi-token prediction in transformers, aiming to enhance sampling efficiency without compromising accuracy. Motivated by recent work that predicts the probabilities of subsequent tokens using multiple heads, we…

Machine Learning · Computer Science 2025-02-11 Artem Basharin , Andrei Chertkov , Ivan Oseledets

Transformer-based autoregressive sampling has been the major bottleneck for slowing down large language model inferences. One effective way to accelerate inference is \emph{Speculative Decoding}, which employs a small model to sample a…

Machine Learning · Computer Science 2024-11-05 Ming Yin , Minshuo Chen , Kaixuan Huang , Mengdi Wang

Despite their central role in the success of foundational models and large-scale language modeling, the theoretical foundations governing the operation of Transformers remain only partially understood. Contemporary research has largely…

Machine Learning · Computer Science 2025-06-02 Sagar Ghosh , Kushal Bose , Swagatam Das

Transformers have transformed modern machine learning, driving breakthroughs in computer vision, natural language processing, and robotics. At the core of their success lies the attention mechanism, which enables the modeling of global…

Computer Vision and Pattern Recognition · Computer Science 2025-10-07 Hemanth Saratchandran , Simon Lucey