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Takuya Ito

Publications and source records attributed to Takuya Ito.

14 recordsLinked to original sources

Universal Transformers for Circuit Computations: Perfect Length Generalization in Tiny Transformers

Learning generalizable algorithmic computations remains a challenge for neural networks, as reflected in persistent failures on compositional and length generalization benchmarks. We present a provably correct, transformer parameterization (with only 280 learnable parameters for Boolean algebra tasks) capable of learning and evaluating problems of any depth or length. We assume inputs are fully parenthesized, well-formed expressions. Our approach conceptualizes algorithmic tasks as circuit models embedded in transformers, enabling depth-1 circuit reduction in a single forward pass. To achieve depth generalization, we introduce a positional encoding that tracks each gate's depth within the circuit, enabling the model to identify evaluable subexpressions at each iteration via masked hard attention, with $O(n)$ per-iteration complexity via linear attention. Combined with an autonomous halting criterion, the model terminates after $d$ iterations for problems of depth $d$, yielding $O(n \cdot d)$ total complexity. We show that training on shallow problem instances (depth 1 and depth 2) effectively recovers interpretable parameters that {\em snap} into place, resulting in exact length generalization. Though we establish that our construction provably evaluates Boolean expressions -- a universal symbolic computation -- of arbitrary length perfectly, in other experiments we also demonstrate that our transformer variant can learn and generalize perfectly (100% accuracy) on other common length generalization benchmarks, including modular arithmetic and ListOps.

cs.LG

The Need for Verification in AI-Driven Scientific Discovery

Artificial intelligence (AI) is transforming the practice of science. Machine learning and large language models (LLMs) can generate hypotheses at a scale and speed far exceeding traditional methods, offering the potential to accelerate discovery across diverse fields. However, the abundance of hypotheses introduces a critical challenge: without scalable and reliable mechanisms for verification, scientific progress risks being hindered rather than being advanced. In this article, we trace the historical development of scientific discovery, examine how AI is reshaping established practices for scientific discovery, and review the principal approaches, ranging from data-driven methods and knowledge-aware neural architectures to symbolic reasoning frameworks and LLM agents. While these systems can uncover patterns and propose candidate laws, their scientific value ultimately depends on rigorous and transparent verification, which we argue must be the cornerstone of AI-assisted discovery.

cs.AI

Transformer Circuits Can Realize Clustering Algorithms

Although transformers are most commonly optimized as statistical sequence models, it is unclear to what extent they can implement and learn exact algorithmic computations. Here, we specify a transformer implementation from first principles that executes a fundamental and widely used method for $k$-means clustering: Lloyd's algorithm. We theoretically prove and empirically demonstrate that this implementation of a transformer architecture, which we term the $k$-means transformer, exactly implements Lloyd's algorithm for $k$-means clustering using the standard circuit mechanisms of modern transformers: attention block, residual connections, and feed-forward block. In learning experiments, we find that training this base architecture on $k$-means clustering yields a generalizable clustering algorithm that surpasses Lloyd's algorithm in terms of clustering quality. Finally, we demonstrate that interpretable alterations (e.g., inclusion of layer normalizations) to this architecture yields diverse and novel variants of clustering algorithms, including soft $k$-means, spherical $k$-means, trimmed $k$-means. Overall, our results show that transformer circuit mechanisms can instantiate exact algorithmic routines for clustering, while simultaneously providing an effective learnable model.

cs.LG

Quantifying artificial intelligence through algorithmic generalization

The rapid development of artificial intelligence (AI) systems has created an urgent need for their scientific quantification. While their fluency across a variety of domains is impressive, AI systems fall short on tests requiring algorithmic reasoning -- a glaring limitation given the necessity for interpretable and reliable technology. Despite a surge of reasoning benchmarks emerging from the academic community, no theoretical framework exists to quantify algorithmic reasoning in AI systems. Here, we adopt a framework from computational complexity theory to quantify algorithmic generalization using algebraic expressions: algebraic circuit complexity. Algebraic circuit complexity theory -- the study of algebraic expressions as circuit models -- is a natural framework to study the complexity of algorithmic computation. Algebraic circuit complexity enables the study of generalization by defining benchmarks in terms of the computational requirements to solve a problem. Moreover, algebraic circuits are generic mathematical objects; an arbitrarily large number of samples can be generated for a specified circuit, making it an ideal experimental sandbox for the data-hungry models that are used today. In this Perspective, we adopt tools from algebraic circuit complexity, apply them to formalize a science of algorithmic generalization, and address key challenges for its successful application to AI science.

cs.AI

Geometry of naturalistic object representations in recurrent neural network models of working memory

Working memory is a central cognitive ability crucial for intelligent decision-making. Recent experimental and computational work studying working memory has primarily used categorical (i.e., one-hot) inputs, rather than ecologically relevant, multidimensional naturalistic ones. Moreover, studies have primarily investigated working memory during single or few cognitive tasks. As a result, an understanding of how naturalistic object information is maintained in working memory in neural networks is still lacking. To bridge this gap, we developed sensory-cognitive models, comprising a convolutional neural network (CNN) coupled with a recurrent neural network (RNN), and trained them on nine distinct N-back tasks using naturalistic stimuli. By examining the RNN's latent space, we found that: (1) Multi-task RNNs represent both task-relevant and irrelevant information simultaneously while performing tasks; (2) The latent subspaces used to maintain specific object properties in vanilla RNNs are largely shared across tasks, but highly task-specific in gated RNNs such as GRU and LSTM; (3) Surprisingly, RNNs embed objects in new representational spaces in which individual object features are less orthogonalized relative to the perceptual space; (4) The transformation of working memory encodings (i.e., embedding of visual inputs in the RNN latent space) into memory was shared across stimuli, yet the transformations governing the retention of a memory in the face of incoming distractor stimuli were distinct across time. Our findings indicate that goal-driven RNNs employ chronological memory subspaces to track information over short time spans, enabling testable predictions with neural data.

cs.AI

Learning interpretable positional encodings in transformers depends on initialization

In transformers, the positional encoding (PE) provides essential information that distinguishes the position and order amongst tokens in a sequence. Most prior investigations of PE effects on generalization were tailored to 1D input sequences, such as those presented in natural language, where adjacent tokens (e.g., words) are highly related. In contrast, many real world tasks involve datasets with highly non-trivial positional arrangements, such as datasets organized in multiple spatial dimensions, or datasets for which ground truth positions are not known. Here we find that the choice of initialization of a learnable PE greatly influences its ability to learn interpretable PEs that lead to enhanced generalization. We empirically demonstrate our findings in three experiments: 1) A 2D relational reasoning task; 2) A nonlinear stochastic network simulation; 3) A real world 3D neuroscience dataset, applying interpretability analyses to verify the learning of accurate PEs. Overall, we find that a learned PE initialized from a small-norm distribution can 1) uncover interpretable PEs that mirror ground truth positions in multiple dimensions, and 2) lead to improved generalization. These results illustrate the feasibility of learning identifiable and interpretable PEs for enhanced generalization.

cs.LG

On the generalization capacity of neural networks during generic multimodal reasoning

The advent of the Transformer has led to the development of large language models (LLM), which appear to demonstrate human-like capabilities. To assess the generality of this class of models and a variety of other base neural network architectures to multimodal domains, we evaluated and compared their capacity for multimodal generalization. We introduce a multimodal question-answer benchmark to evaluate three specific types of out-of-distribution (OOD) generalization performance: distractor generalization (generalization in the presence of distractors), systematic compositional generalization (generalization to new task permutations), and productive compositional generalization (generalization to more complex tasks structures). We found that across model architectures (e.g., RNNs, Transformers, Perceivers, etc.), models with multiple attention layers, or models that leveraged cross-attention mechanisms between input domains, fared better. Our positive results demonstrate that for multimodal distractor and systematic generalization, either cross-modal attention or models with deeper attention layers are key architectural features required to integrate multimodal inputs. On the other hand, neither of these architectural features led to productive generalization, suggesting fundamental limitations of existing architectures for specific types of multimodal generalization. These results demonstrate the strengths and limitations of specific architectural components underlying modern neural models for multimodal reasoning. Finally, we provide Generic COG (gCOG), a configurable benchmark with several multimodal generalization splits, for future studies to explore.

cs.LG

IceCube -- Neutrinos in Deep Ice The Top 3 Solutions from the Public Kaggle Competition

During the public Kaggle competition "IceCube -- Neutrinos in Deep Ice", thousands of reconstruction algorithms were created and submitted, aiming to estimate the direction of neutrino events recorded by the IceCube detector. Here we describe in detail the three ultimate best, award-winning solutions. The data handling, architecture, and training process of each of these machine learning models is laid out, followed up by an in-depth comparison of the performance on the kaggle datatset. We show that on cascade events in IceCube above 10 TeV, the best kaggle solution is able to achieve an angular resolution of better than 5 degrees, and for tracks correspondingly better than 0.5 degrees. These performance measures compare favourably to the current state-of-the-art in the field.

astro-ph.HE

Coherent-Incoherent Crossover of Charge and Neutral Mode Transport as Evidence for the Disorder-Dominated Fractional Edge Phase

Couplings between topological edge channels open electronic phases possessing nontrivial eigenmodes far beyond the noninteracting-edge picture. However, inelastic scatterings mask the eigenmodes' inherent features, often preventing us from identifying the phases, as is the case for the quintessential Landau-level filling factor v = 2/3 edge composed of the counter-propagating v = 1/3 and 1 (1/3-1) channels. Here, we study the coherent-incoherent crossover of the 1/3-1 channels by tuning the channel length in-situ using a new device architecture comprising a junction of v = 1/3 and 1 systems, the particle-hole conjugate of the 2/3 edge. We successfully observed the concurrence of the fluctuating electrical conductance and the quantized thermal conductance in the crossover regime, the definitive hallmark of the eigenmodes in the disorder-dominated edge phase left experimentally unverified.

cond-mat.mes-hall

Compositional generalization through abstract representations in human and artificial neural networks

Humans have a remarkable ability to rapidly generalize to new tasks that is difficult to reproduce in artificial learning systems. Compositionality has been proposed as a key mechanism supporting generalization in humans, but evidence of its neural implementation and impact on behavior is still scarce. Here we study the computational properties associated with compositional generalization in both humans and artificial neural networks (ANNs) on a highly compositional task. First, we identified behavioral signatures of compositional generalization in humans, along with their neural correlates using whole-cortex functional magnetic resonance imaging (fMRI) data. Next, we designed pretraining paradigms aided by a procedure we term {\em primitives pretraining} to endow compositional task elements into ANNs. We found that ANNs with this prior knowledge had greater correspondence with human behavior and neural compositional signatures. Importantly, primitives pretraining induced abstract internal representations, excellent zero-shot generalization, and sample-efficient learning. Moreover, it gave rise to a hierarchy of abstract representations that matched human fMRI data, where sensory rule abstractions emerged in early sensory areas, and motor rule abstractions emerged in later motor areas. Our findings give empirical support to the role of compositional generalization in human behavior, implicate abstract representations as its neural implementation, and illustrate that these representations can be embedded into ANNs by designing simple and efficient pretraining procedures.

q-bio.NC

Deep learning models for predicting RNA degradation via dual crowdsourcing

Messenger RNA-based medicines hold immense potential, as evidenced by their rapid deployment as COVID-19 vaccines. However, worldwide distribution of mRNA molecules has been limited by their thermostability, which is fundamentally limited by the intrinsic instability of RNA molecules to a chemical degradation reaction called in-line hydrolysis. Predicting the degradation of an RNA molecule is a key task in designing more stable RNA-based therapeutics. Here, we describe a crowdsourced machine learning competition ("Stanford OpenVaccine") on Kaggle, involving single-nucleotide resolution measurements on 6043 102-130-nucleotide diverse RNA constructs that were themselves solicited through crowdsourcing on the RNA design platform Eterna. The entire experiment was completed in less than 6 months, and 41% of nucleotide-level predictions from the winning model were within experimental error of the ground truth measurement. Furthermore, these models generalized to blindly predicting orthogonal degradation data on much longer mRNA molecules (504-1588 nucleotides) with improved accuracy compared to previously published models. Top teams integrated natural language processing architectures and data augmentation techniques with predictions from previous dynamic programming models for RNA secondary structure. These results indicate that such models are capable of representing in-line hydrolysis with excellent accuracy, supporting their use for designing stabilized messenger RNAs. The integration of two crowdsourcing platforms, one for data set creation and another for machine learning, may be fruitful for other urgent problems that demand scientific discovery on rapid timescales.

stat.ML

Density matrix renormalization group study of the $ν=1/3$ edge states in fractional quantum Hall systems

The edge states in the fractional quantum Hall systems at filling factor $ν=1/3$ are studied by the density matrix renormalization group method. It is shown that the density oscillation induced by the local boundary condition at the edge is characterized by the wave number of the minimum magnetoroton excitation, and this structure is partially reconstructed with the change in the confinement potential shape. In particular, the $ν=1$ counterpropagating edge channel appears with the change in the chemical potential, which is consistent with recent experiments on heat transport. The stability of the bulk states against the change in the number of electrons confirms that the bulk part of the fractional quantum Hall state is incompressible, while the edge state is compressible.

cond-mat.str-el

Discovering the Computational Relevance of Brain Network Organization

Understanding neurocognitive computations will require not just localizing cognitive information distributed throughout the brain but also determining how that information got there. We review recent advances in linking empirical and simulated brain network organization with cognitive information processing. Building on these advances, we offer a new framework for understanding the role of connectivity in cognition - network coding (encoding/decoding) models. These models utilize connectivity to specify the transfer of information via neural activity flow processes, successfully predicting the formation of cognitive representations in empirical neural data. The success of these models supports the possibility that localized neural functions mechanistically emerge (are computed) from distributed activity flow processes that are specified primarily by connectivity patterns.

q-bio.NC

Thermodynamic properties of the $S=1/2$ twisted triangular spin tube

Thermodynamic properties of the twisted three-leg spin tube under magnetic field are studied by the finite-$T$ density-matrix renormalization group method. The specific heat, spin, and chiral susceptibilities of the infinite system are calculated for both the original and its low-energy effective models. The obtained results show that the presence of the chirality is observed as a clear peak in the specific heat at low temperature and the contribution of the chirality dominates the low-temperature part of the specific heat as the exchange coupling along the spin tube decreases. The peak structures in the specific heat, spin, and chiral susceptibilities are strongly modified near the quantum phase transition where the critical behaviors of the spin and chirality correlations change. These results confirm that the chirality plays a major role in characteristic low-energy behaviors of the frustrated spin systems.

cond-mat.str-el