Daily Papers

We propose a learning algorithm for local routing policies that needs only a few data samples obtained from a single graph while generalizing to all random graphs in a standard model of wireless networks. We thus solve the all-pairs near-shortest path problem by training deep neural networks (DNNs) that efficiently and scalably learn routing policies that are local, i.e., they only consider node states and the states of neighboring nodes. Remarkably, one of these DNNs we train learns a policy that exactly matches the performance of greedy forwarding; another generally outperforms greedy forwarding. Our algorithm design exploits network domain knowledge in several ways: First, in the selection of input features and, second, in the selection of a ``seed graph'' and subsamples from its shortest paths. The leverage of domain knowledge provides theoretical explainability of why the seed graph and node subsampling suffice for learning that is efficient, scalable, and generalizable. Simulation-based results on uniform random graphs with diverse sizes and densities empirically corroborate that using samples generated from a few routing paths in a modest-sized seed graph quickly learns a model that is generalizable across (almost) all random graphs in the wireless network model.

Developing models that can learn to reason is a notoriously challenging problem. We focus on reasoning in relational domains, where the use of Graph Neural Networks (GNNs) seems like a natural choice. However, previous work has shown that regular GNNs lack the ability to systematically generalize from training examples on test graphs requiring longer inference chains, which fundamentally limits their reasoning abilities. A common solution relies on neuro-symbolic methods that systematically reason by learning rules, but their scalability is often limited and they tend to make unrealistically strong assumptions, e.g.\ that the answer can always be inferred from a single relational path. We propose the Epistemic GNN (EpiGNN), a novel parameter-efficient and scalable GNN architecture with an epistemic inductive bias for systematic reasoning. Node embeddings in EpiGNNs are treated as epistemic states, and message passing is implemented accordingly. We show that EpiGNNs achieve state-of-the-art results on link prediction tasks that require systematic reasoning. Furthermore, for inductive knowledge graph completion, EpiGNNs rival the performance of state-of-the-art specialized approaches. Finally, we introduce two new benchmarks that go beyond standard relational reasoning by requiring the aggregation of information from multiple paths. Here, existing neuro-symbolic approaches fail, yet EpiGNNs learn to reason accurately. Code and datasets are available at https://github.com/erg0dic/gnn-sg.

We design controlled experiments to study HOW generative language models, like GPT, learn context-free grammars (CFGs) -- diverse language systems with a tree-like structure capturing many aspects of natural languages, programs, and logics. CFGs are as hard as pushdown automata, and can be ambiguous so that verifying if a string satisfies the rules requires dynamic programming. We construct synthetic data and demonstrate that even for difficult (long and ambiguous) CFGs, pre-trained transformers can learn to generate sentences with near-perfect accuracy and impressive diversity. More importantly, we delve into the physical principles behind how transformers learns CFGs. We discover that the hidden states within the transformer implicitly and precisely encode the CFG structure (such as putting tree node information exactly on the subtree boundary), and learn to form "boundary to boundary" attentions resembling dynamic programming. We also cover some extension of CFGs as well as the robustness aspect of transformers against grammar mistakes. Overall, our research provides a comprehensive and empirical understanding of how transformers learn CFGs, and reveals the physical mechanisms utilized by transformers to capture the structure and rules of languages.

We present FusionCore, an open-source ROS 2 sensor fusion package that fuses IMU, wheel encoder odometry, GPS, and Visual SLAM pose into a single 100 Hz odometry stream using a 23-state Unscented Kalman Filter (UKF). The 23rd state is an online estimate of the wheel encoder's systematic yaw rate bias, identified through GPS heading cross-covariance and subtracted during GPS blackouts to reduce heading drift in coast mode. FusionCore also estimates gyroscope and accelerometer biases as explicit filter states, handles GPS natively in ECEF without a separate coordinate projection node, applies per-sensor Mahalanobis chi-squared outlier gating calibrated to measurement degrees of freedom, and adapts sensor noise covariance automatically from the innovation sequence. VSLAM pose fusion enables GPS-denied operation with any visual odometry or SLAM system, including automatic recovery from map reinitialization. We evaluate against robot_localization on twelve full-length sequences (55-92 min each) from the NCLT public dataset. FusionCore achieves lower Absolute Trajectory Error (ATE) on ten of twelve sequences, with improvements ranging from 1.2x to 22.2x on winning sequences. The robot_localization UKF diverges numerically on all twelve sequences. FusionCore is available at https://github.com/manankharwar/fusioncore under the Apache 2.0 license.

Privacy restrictions hinder the sharing of real-world Water Distribution Network (WDN) models, limiting the application of emerging data-driven machine learning, which typically requires extensive observations. To address this challenge, we propose the dataset DiTEC-WDN that comprises 36,000 unique scenarios simulated over either short-term (24 hours) or long-term (1 year) periods. We constructed this dataset using an automated pipeline that optimizes crucial parameters (e.g., pressure, flow rate, and demand patterns), facilitates large-scale simulations, and records discrete, synthetic but hydraulically realistic states under standard conditions via rule validation and post-hoc analysis. With a total of 228 million generated graph-based states, DiTEC-WDN can support a variety of machine-learning tasks, including graph-level, node-level, and link-level regression, as well as time-series forecasting. This contribution, released under a public license, encourages open scientific research in the critical water sector, eliminates the risk of exposing sensitive data, and fulfills the need for a large-scale water distribution network benchmark for study comparisons and scenario analysis.

Memory is a fundamental component for enabling long-context LLM agents, supporting persistent state across interactions through a continuous serve-and-update lifecycle. Despite substantial prior work, existing systems suffer from significant maintenance overhead due to two key limitations: coarse-grained state management and inherently sequential update pipelines. In particular, updates are often tightly coupled with LLM inference and require full-state rewrites, leading to poor scalability and growing latency as memory accumulates. To address these challenges, we present MemForest, a memory framework that reformulates agent memory as a write-efficient temporal data management problem. MemForest breaks the sequential bottleneck via parallel chunk extraction, decoupling memory construction into concurrent, independent operations. To further eliminate coarse-grained maintenance, we introduce MemTree, a hierarchical temporal index that organizes memory as time-ordered trees rather than flat global summaries. This design replaces full-state rewrites with localized per-node updates, reducing maintenance cost to the affected tree paths while naturally preserving temporally evolving states. We evaluate MemForest on two long-context memory benchmarks, LongMemEval-S and LoCoMo. On LongMemEval-S, MemForest achieves the best overall performance among stateful baselines, reaching 79.8% pass@1 accuracy while sustaining a memory construction throughput approximately 6x higher than state-of-the-art approaches including EverMemOS.

Per-ticker forecasting models dominate financial time-series work yet remain blind to cross-company propagation: a foundry disruption in Taiwan does not register in a single-asset model until Apple's own price has already moved. To address this limitation, we introduce a heterogeneous Rust-Python streaming architecture that maps cross-company attention as a continuous-time graph driven directly from text. We show that on the ingestion side, a zero-copy Rust edge parses news records in sim100 ns and scans the target equity universe in sim1.2 μs. On the inference end, a multivariate Neural Hawkes Process featuring per-node continuous-time LSTM states and a bilinear latent projection propagates directed excitation, while an adaptive pruning rule bounds the computational cost of dynamic neighborhood updates. Combining these stages, we demonstrate an end-to-end processing latency of sim13 ms per incoming news record on a single commodity CPU. Evaluated on a one-month temporal holdout of the FNSPID corpus (638 articles across 47 tickers), the system delivers a 1.70times precision lift over random at the 90th-percentile next-day return threshold, and 3.36times over a same-sector baseline. Crucially, removing the graph topology collapses precision to zero, confirming that the dynamic attention network is the sole driver of cross-company signal in this architecture.

Graph neural networks have shown significant success in the field of graph representation learning. Graph convolutions perform neighborhood aggregation and represent one of the most important graph operations. Nevertheless, one layer of these neighborhood aggregation methods only consider immediate neighbors, and the performance decreases when going deeper to enable larger receptive fields. Several recent studies attribute this performance deterioration to the over-smoothing issue, which states that repeated propagation makes node representations of different classes indistinguishable. In this work, we study this observation systematically and develop new insights towards deeper graph neural networks. First, we provide a systematical analysis on this issue and argue that the key factor compromising the performance significantly is the entanglement of representation transformation and propagation in current graph convolution operations. After decoupling these two operations, deeper graph neural networks can be used to learn graph node representations from larger receptive fields. We further provide a theoretical analysis of the above observation when building very deep models, which can serve as a rigorous and gentle description of the over-smoothing issue. Based on our theoretical and empirical analysis, we propose Deep Adaptive Graph Neural Network (DAGNN) to adaptively incorporate information from large receptive fields. A set of experiments on citation, co-authorship, and co-purchase datasets have confirmed our analysis and insights and demonstrated the superiority of our proposed methods.

We introduce an experimentally accessible network representation for many-body quantum states based on entanglement between all pairs of its constituents. We illustrate the power of this representation by applying it to a paradigmatic spin chain model, the XX model, and showing that it brings to light new phenomena. The analysis of these entanglement networks reveals that the gradual establishment of quasi-long range order is accompanied by a symmetry regarding single-spin concurrence distributions, as well as by instabilities in the network topology. Moreover, we identify the existence of emergent entanglement structures, spatially localised communities enforced by the global symmetry of the system that can be revealed by model-agnostic community detection algorithms. The network representation further unveils the existence of structural classes and a cyclic self-similarity in the state, which we conjecture to be intimately linked to the community structure. Our results demonstrate that the use of tools and concepts from complex network theory enables the discovery, understanding, and description of new physical phenomena even in models studied for decades.

Policy-adherent tool-calling agents in customer-service domains must maintain task states across turns while calling tools and obeying domain policies. Task states consist of relevant facts, identifiers, constraints, and conditions observed through user interaction and tool calls. In standard agents, task states are not represented separately. Observations, tool returns, and policy instructions are placed in the prompt, leaving agents to reconstruct the relevant states from the prompt each time they decide what to do next. This design makes state management implicit, creating two common failure modes. An agent may retrieve the right facts but later ground its decision in stale, missing, or incorrect information; and a syntactically valid tool call may still violate a domain policy that depends on the current task state. We introduce LedgerAgent, an inference-time method for tool-calling agents that maintains observed task states in a separate ledger and renders the states into the prompt. The ledger is also used to check state-dependent policy constraints before environment-changing tool calls are executed, blocking policy violations. Across four customer-service domains and a mixed panel of open- and closed-weight models, LedgerAgent improves average passk over a standard prompt-based tool-calling approach, with the largest gains under stricter multi-trial consistency metrics.

Graphs are an essential part of many machine learning problems such as analysis of parse trees, social networks, knowledge graphs, transportation systems, and molecular structures. Applying machine learning in these areas typically involves learning the graph structure and the relationship between the nodes of the graph. However, learning the graph structure is often complex, particularly when the graph is cyclic, and the transitions from one node to another are conditioned such as graphs used to represent a finite state machine. To solve this problem, we propose to extend the memory based Neural Turing Machine (NTM) with two novel additions. We allow for transitions between nodes to be influenced by information received from external environments, and we let the NTM learn the context of those transitions. We refer to this extension as the Conditional Neural Turing Machine (CNTM). We show that the CNTM can infer conditional transition graphs by empirically verifiying the model on two data sets: a large set of randomly generated graphs, and a graph modeling the information retrieval process during certain crisis situations. The results show that the CNTM is able to reproduce the paths inside the graph with accuracy ranging from 82,12% for 10 nodes graphs to 65,25% for 100 nodes graphs.

Let L denote the Laplacian matrix of a graph G. We study continuous quantum walks on G defined by the transition matrix U(t)=expleft(itLright). The initial state is of the pair state form, e_a-e_b with a,b being any two vertices of G. We provide two ways to construct infinite families of graphs that have perfect pair transfer. We study a "transitivity" phenomenon which cannot occur in vertex state transfer. We characterize perfect pair state transfer on paths and cycles. We also study the case when quantum walks are generated by the unsigned Laplacians of underlying graphs and the initial states are of the plus state form, e_a+e_b. When the underlying graphs are bipartite, plus state transfer is equivalent to pair state transfer.

Entanglement percolation aims at generating maximal entanglement between any two nodes of a quantum network by utilizing strategies based solely on local operations and classical communication between the nodes. As it happens in classical percolation theory, the topology of the network is crucial, but also the entanglement shared between the nodes of the network. In a network of identically partially entangled states, the network topology determines the minimum entanglement needed for percolation. In this work, we generalize the protocol to scenarios where the initial entanglement shared between each two nodes of the network is not the same but has some randomness. In such cases, we find that for classical entanglement percolation, only the average initial entanglement is relevant. In contrast, the quantum entanglement percolation protocol generally performs worse under these more realistic conditions.

Classical simulation of quantum physics is a central approach to investigating physical phenomena. Quantum computers enhance computational capabilities beyond those of classical resources, but it remains unclear to what extent existing limited quantum computers can contribute to this enhancement. In this work, we explore a new hybrid, efficient quantum-classical representation of quantum states, the multiple-basis representation. This representation consists of a linear combination of states that are sparse in some given and different bases, specified by quantum circuits. Such representation is particularly appealing when considering depth-limited quantum circuits within reach of current hardware. We analyze the expressivity of multiple-basis representation states depending on the classical simulability of their quantum circuits. In particular, we show that multiple-basis representation states include, but are not restricted to, both matrix-product states and stabilizer states. Furthermore, we find cases in which this representation can be used, namely approximation of ground states, simulation of deeper computations by specifying bases with shallow circuits, and a tomographical protocol to describe states as multiple-basis representations. We envision this work to open the path of simultaneous use of several hardware-friendly bases, a natural description of hybrid computational methods accessible for near-term hardware.

Along the way initiated by Carleo and Troyer [1], we construct the neural-network quantum state of transverse-field Ising model(TFIM) by an unsupervised machine learning method. Such a wave function is a map from the spin-configuration space to the complex number field determined by an array of network parameters. To get the ground state of the system, values of the network parameters are calculated by a Stochastic Reconfiguration(SR) method. We provide for this SR method an understanding from action principle and information geometry aspects. With this quantum state, we calculate key observables of the system, the energy, correlation function, correlation length, magnetic moment and susceptibility. As innovations, we provide a high efficiency method and use it to calculate entanglement entropy (EE) of the system and get results consistent with previous work very well.

Partition logics -- non-Boolean event structures obtained by pasting Boolean algebras -- provide a natural language for situations in which a system has a definite latent state but can be accessed and resolved only through mutually incompatible coarse-grained modes of observation. We show that this structure arises in a range of social-science settings by constructing six explicit examples from personnel assessment, survey framing, clinical diagnosis, espionage coordination, legal pluralism, and organizational auditing. For each case we identify the latent state space, the observational contexts as partitions, and the shared atoms that intertwine contexts, yielding instances of the L_{12} bowtie, triangle, pentagon, and automaton partition logics. These examples make precise a notion of social complementarity: different modes of inquiry can be incompatible even though the underlying system remains fully value-definite. Complementarity in this sense does not entail contextuality or ontic indeterminacy. We further compare the classical probabilities generated by convex mixtures of dispersion-free states with the quantum-like Born probabilities available when the same exclusivity graph admits a faithful orthogonal representation. The framework thus separates logical structure from probabilistic realization and suggests empirically testable benchmarks for quantum-cognition models.

We conjecture that hidden state vectors corresponding to individual input tokens encode information sufficient to accurately predict several tokens ahead. More concretely, in this paper we ask: Given a hidden (internal) representation of a single token at position t in an input, can we reliably anticipate the tokens that will appear at positions geq t + 2? To test this, we measure linear approximation and causal intervention methods in GPT-J-6B to evaluate the degree to which individual hidden states in the network contain signal rich enough to predict future hidden states and, ultimately, token outputs. We find that, at some layers, we can approximate a model's output with more than 48% accuracy with respect to its prediction of subsequent tokens through a single hidden state. Finally we present a "Future Lens" visualization that uses these methods to create a new view of transformer states.

Large language models map semantically related prompts to similar internal representations -- a phenomenon interpretable as attractor-like dynamics. We ask whether the identity document of a persistent cognitive agent (its cognitive_core) exhibits analogous attractor-like behavior. We present a controlled experiment on Llama 3.1 8B Instruct, comparing hidden states of an original cognitive_core (Condition A), seven paraphrases (Condition B), and seven structurally matched controls (Condition C). Mean-pooled states at layers 8, 16, and 24 show that paraphrases converge to a tighter cluster than controls (Cohen's d > 1.88, p < 10^{-27}, Bonferroni-corrected). Replication on Gemma 2 9B confirms cross-architecture generalizability. Ablations suggest the effect is primarily semantic rather than structural, and that structural completeness appears necessary to reach the attractor region. An exploratory experiment shows that reading a scientific description of the agent shifts internal state toward the attractor -- closer than a sham preprint -- distinguishing knowing about an identity from operating as that identity. These results provide representational evidence that agent identity documents induce attractor-like geometry in LLM activation space.

We introduce a quantum neural network, QNN, that can represent labeled data, classical or quantum, and be trained by supervised learning. The quantum circuit consists of a sequence of parameter dependent unitary transformations which acts on an input quantum state. For binary classification a single Pauli operator is measured on a designated readout qubit. The measured output is the quantum neural network's predictor of the binary label of the input state. First we look at classifying classical data sets which consist of n-bit strings with binary labels. The input quantum state is an n-bit computational basis state corresponding to a sample string. We show how to design a circuit made from two qubit unitaries that can correctly represent the label of any Boolean function of n bits. For certain label functions the circuit is exponentially long. We introduce parameter dependent unitaries that can be adapted by supervised learning of labeled data. We study an example of real world data consisting of downsampled images of handwritten digits each of which has been labeled as one of two distinct digits. We show through classical simulation that parameters can be found that allow the QNN to learn to correctly distinguish the two data sets. We then discuss presenting the data as quantum superpositions of computational basis states corresponding to different label values. Here we show through simulation that learning is possible. We consider using our QNN to learn the label of a general quantum state. By example we show that this can be done. Our work is exploratory and relies on the classical simulation of small quantum systems. The QNN proposed here was designed with near-term quantum processors in mind. Therefore it will be possible to run this QNN on a near term gate model quantum computer where its power can be explored beyond what can be explored with simulation.

Multi-agent language systems can exhibit a failure mode where a shared dominant context progressively absorbs individual semantics, yielding near-uniform behavior across agents. We study this effect under the name Asymptotic Semantic Collapse in Hierarchical Optimization. In a closed linguistic setting with a Dominant Anchor Node whose semantic state has effectively infinite inertia, we show that repeated interactions with Peripheral Agent Nodes drive an asymptotic alignment that minimizes a global loss. We model semantic states as points on a Riemannian manifold and analyze the induced projection dynamics. Two consequences follow. First, the limiting semantic configuration is insensitive to the optimization history: both smooth gradient-style updates and stochastic noisy updates converge to the same topological endpoint, establishing path independence at convergence. Second, the degree of context dependence controls information content: moving from atomic (independent) representations to fully entangled (context-bound) representations forces the node entropy, interpreted as available degrees of freedom, to vanish in the limit. The theory connects information-theoretic quantities with differential-geometric structure and suggests an interpretation as an immutable consensus rule that constrains agents to a shared semantic grammar. A lightweight dataset-free benchmark on an RWKV-7 13B GGUF checkpoint complements the analysis, reporting zero hash collisions, mean compliance of 0.50 under greedy decoding and 0.531 under stochastic decoding, and final Jaccard-to-anchor similarity values of 0.295 and 0.224, respectively.

We present a deterministic framework for preparing an arbitrary three-qubit pure state. To leverage entanglement structure in the state-preparation task, we classify three-qubit pure states into five types with respect to a 1|2 bipartition. Given a target state specified by its amplitudes, we provide concrete criteria and concurrence-based tests that determine its type. For each type, we derive an explicit circuit template composed of elementary single-qubit rotations and CNOT gates, with gate parameters determined systematically from the Schmidt decomposition. The full construction is described step by step from the target amplitudes, with no procedural ambiguity. As an application, we further group frequently encountered three-qubit pure states in quantum information into four classes and provide an explicit circuit for each class. Compared with prior approaches, our circuits are designed for practical use: they admit a direct algorithmic instantiation, use only CNOT gates between adjacent qubits, and for certain classes achieve smaller gate counts and circuit depth.

A spanning tree T of graph G is a rho-approximate universal Steiner tree (UST) for root vertex r if, for any subset of vertices S containing r, the cost of the minimal subgraph of T connecting S is within a rho factor of the minimum cost tree connecting S in G. Busch et al. (FOCS 2012) showed that every graph admits 2^{O(log n)}-approximate USTs by showing that USTs are equivalent to strong sparse partition hierarchies (up to poly-logs). Further, they posed poly-logarithmic USTs and strong sparse partition hierarchies as open questions. We settle these open questions by giving polynomial-time algorithms for computing both O(log ^ 7 n)-approximate USTs and poly-logarithmic strong sparse partition hierarchies. For graphs with constant doubling dimension or constant pathwidth we improve this to O(log n)-approximate USTs and O(1) strong sparse partition hierarchies. Our doubling dimension result is tight up to second order terms. We reduce the existence of these objects to the previously studied cluster aggregation problem and what we call dangling nets.

Neural quantum states (NQS) have emerged as a powerful tool for approximating quantum wavefunctions using deep learning. While these models achieve remarkable accuracy, understanding how they encode physical information remains an open challenge. In this work, we introduce adiabatic fine-tuning, a scheme that trains NQS across a phase diagram, leading to strongly correlated weight representations across different models. This correlation in weight space enables the detection of phase transitions in quantum systems by analyzing the trained network weights alone. We validate our approach on the transverse field Ising model and the J1-J2 Heisenberg model, demonstrating that phase transitions manifest as distinct structures in weight space. Our results establish a connection between physical phase transitions and the geometry of neural network parameters, opening new directions for the interpretability of machine learning models in physics.

The Platonic Representation Hypothesis (PRH) holds that as models scale, representations of heterogeneous networks converge toward a shared model of reality. We propose its sequel and boundary, the Capability Convergence Hypothesis (CCH): under a fixed per-token inference budget, representational convergence does not entail capability convergence. Capability instead converges toward a class, the access-complete hybrid: any architecture holding both a compressive O(1)-state channel and a scalable verbatim-index channel. We anchor it on a witness task, the Newton's-apple problem in an infinite stream, and name three resource walls: a Shannon wall barring any o(Nb)-state architecture, a horizon wall barring any fixed window, and a circuit wall barring fixed-depth attention-only composition (conditional on TC0 != NC1). Under an explicit separability assumption a hybrid crosses all three by paying each wall's price, so capability is strictly super-additive under composition. We separate what we prove from what we conjecture: the access-completeness principle rests on information-theoretic lower bounds and pre-registered experiments, while the field-level convergence trend is an economics-motivated conjecture. We report the first pre-registered small-scale tests under criteria frozen before the data: the predicted scissors gap is measured (exact-retrieval error 0.994 vs. 0.000 once a 64-scalar state gains one global-attention layer), the state-tracking bifurcation lands at the registered boundary, and a conjunction witness shows an irreducibly two-channel solution; one prediction failed with its direction reversed and is reported as such. Representational convergence is given freely by scale; capability convergence must be purchased by access structure.

Prediction tasks over nodes and edges in networks require careful effort in engineering features used by learning algorithms. Recent research in the broader field of representation learning has led to significant progress in automating prediction by learning the features themselves. However, present feature learning approaches are not expressive enough to capture the diversity of connectivity patterns observed in networks. Here we propose node2vec, an algorithmic framework for learning continuous feature representations for nodes in networks. In node2vec, we learn a mapping of nodes to a low-dimensional space of features that maximizes the likelihood of preserving network neighborhoods of nodes. We define a flexible notion of a node's network neighborhood and design a biased random walk procedure, which efficiently explores diverse neighborhoods. Our algorithm generalizes prior work which is based on rigid notions of network neighborhoods, and we argue that the added flexibility in exploring neighborhoods is the key to learning richer representations. We demonstrate the efficacy of node2vec over existing state-of-the-art techniques on multi-label classification and link prediction in several real-world networks from diverse domains. Taken together, our work represents a new way for efficiently learning state-of-the-art task-independent representations in complex networks.

We introduce a modern Hopfield network with continuous states and a corresponding update rule. The new Hopfield network can store exponentially (with the dimension of the associative space) many patterns, retrieves the pattern with one update, and has exponentially small retrieval errors. It has three types of energy minima (fixed points of the update): (1) global fixed point averaging over all patterns, (2) metastable states averaging over a subset of patterns, and (3) fixed points which store a single pattern. The new update rule is equivalent to the attention mechanism used in transformers. This equivalence enables a characterization of the heads of transformer models. These heads perform in the first layers preferably global averaging and in higher layers partial averaging via metastable states. The new modern Hopfield network can be integrated into deep learning architectures as layers to allow the storage of and access to raw input data, intermediate results, or learned prototypes. These Hopfield layers enable new ways of deep learning, beyond fully-connected, convolutional, or recurrent networks, and provide pooling, memory, association, and attention mechanisms. We demonstrate the broad applicability of the Hopfield layers across various domains. Hopfield layers improved state-of-the-art on three out of four considered multiple instance learning problems as well as on immune repertoire classification with several hundreds of thousands of instances. On the UCI benchmark collections of small classification tasks, where deep learning methods typically struggle, Hopfield layers yielded a new state-of-the-art when compared to different machine learning methods. Finally, Hopfield layers achieved state-of-the-art on two drug design datasets. The implementation is available at: https://github.com/ml-jku/hopfield-layers

Living systems face both environmental complexity and limited access to free-energy resources. Survival under these conditions requires a control system that can activate, or deploy, available perception and action resources in a context specific way. We show here that when systems are described as executing active inference driven by the free-energy principle (and hence can be considered Bayesian prediction-error minimizers), their control flow systems can always be represented as tensor networks (TNs). We show how TNs as control systems can be implmented within the general framework of quantum topological neural networks, and discuss the implications of these results for modeling biological systems at multiple scales.

We study the quantum coherence and its distribution of N-partite GHZ and W states of bosonic fields in the noninertial frames with arbitrary number of acceleration observers. We find that the coherence of both GHZ and W state reduces with accelerations and freezes in the limit of infinite accelerations. The freezing value of coherence depends on the number of accelerated observers. The coherence of N-partite GHZ state is genuinely global and no coherence exists in any subsystems. For the N-partite W state, however, the coherence is essentially bipartite types, and the total coherence is equal to the sum of coherence of all the bipartite subsystems.

Procedural text, which describes entities and their interactions as they undergo some process, depicts entities in a uniquely nuanced way. First, each entity may have some observable discrete attributes, such as its state or location; modeling these involves imposing global structure and enforcing consistency. Second, an entity may have properties which are not made explicit but can be effectively induced and tracked by neural networks. In this paper, we propose a structured neural architecture that reflects this dual nature of entity evolution. The model tracks each entity recurrently, updating its hidden continuous representation at each step to contain relevant state information. The global discrete state structure is explicitly modeled with a neural CRF over the changing hidden representation of the entity. This CRF can explicitly capture constraints on entity states over time, enforcing that, for example, an entity cannot move to a location after it is destroyed. We evaluate the performance of our proposed model on QA tasks over process paragraphs in the ProPara dataset and find that our model achieves state-of-the-art results.

Large language models can answer scientific questions, yet a correct output does not reveal whether the model represents or uses the governing physics. Here we show that materials science mechanism information in the open-weight google/gemma-4-E4B-it model has three experimentally separable forms: concepts are readable in individual hidden states, constitutive orientation is carried by controlled transformations between states, and selected internal representations causally control engineering answers. We combine matched direct and Jacobian vocabulary readouts, option-free state geometry, a 60-law counterfactual benchmark and causal interventions. In 50 held-out materials descriptions, three independently fitted Jacobian lenses reproduced concept ranks, and target-free word sets from both readouts enabled blinded identification of 9 of 10 mechanism families. A separate 72-prompt benchmark produced mechanism-specific hidden-state neighborhoods, but an exact graph audit showed that this apparent physical organization was equally explained by numerical comparison. We therefore compared otherwise identical prompts in which only the direction of the physical input was reversed, asking whether the resulting hidden-state movement followed the supplied constitutive law. These state transformations ordered direct, physically neutral and inverse laws across 60 frozen relations and correctly oriented 39 of 40 directional laws, whereas lexical controls were near chance. Bidirectional interventions shifted answer probabilities toward or away from the physically appropriate outcome across all 12 matched cases, while counterfactual state patches transferred opposing decision signals across mechanisms and answer formats. Physical relationships were therefore more visible in controlled state changes than in absolute states alone.

Modern Recurrent Neural Networks (RNNs), such as RWKV, are distinguished by their powerful short-range modeling capabilities and efficient fixed-size states, which constitute a core advantage over standard Transformers. However, there is a significant lack of research into their internal state as an editable knowledge representation. To fill this gap, we first explore the representational properties of the RWKV state by proposing the DREAMSTATE framework. This framework utilizes a conditional Diffusion Transformer (DiT) to directly model the probability manifold of the state, enabling its generation and editing. The structural nature of this representation is validated through t-SNE visualizations and controlled generation experiments. After successfully uncovering and modeling the state's representational potential, we further propose a novel hybrid architecture that combines the local advantages of RNNs with global context adaptability. This architecture features a parallel DiT that processes a variable-length global context to dynamically generate and adjust the core recurrent module's WKV parameters, transforming the fixed recurrence mechanism into a context-aware dynamic function. Experiments demonstrate that this hybrid model can be trained stably via a multi-objective loss, validating its design feasibility. Our work not only opens a new research direction for RNN state representation but also provides a concrete architectural reference for future model design. The code is publicly available at: https://huggingface.co/2dgx41s/DreamState.

The discovery of topological quantum states marks a new chapter in both condensed matter physics and materials sciences. By analogy to spin electronic system, topological concepts have been extended into phonons, boosting the birth of topological phononics (TPs). Here, we present a high-throughput screening and data-driven approach to compute and evaluate TPs among over 10,000 materials. We have clarified 5014 TP materials and classified them into single Weyl, high degenerate Weyl, and nodal-line (ring) TPs. Among them, three representative cases of TPs have been discussed in detail. Furthermore, we suggest 322 TP materials with potential clean nontrivial surface states, which are favorable for experimental characterizations. This work significantly increases the current library of TP materials, which enables an in-depth investigation of their structure-property relations and opens new avenues for future device design related to TPs.

Logical reasoning encompasses deduction, induction, and abduction. However, while Large Language Models (LLMs) have effectively mastered the former two, abductive reasoning remains significantly underexplored. Existing frameworks, predominantly designed for static deductive tasks, fail to generalize to abductive reasoning due to unstructured state representation and lack of explicit state control. Consequently, they are inevitably prone to Evidence Fabrication, Context Drift, Failed Backtracking, and Early Stopping. To bridge this gap, we introduce Graph of States (GoS), a general-purpose neuro-symbolic framework tailored for abductive tasks. GoS grounds multi-agent collaboration in a structured belief states, utilizing a causal graph to explicitly encode logical dependencies and a state machine to govern the valid transitions of the reasoning process. By dynamically aligning the reasoning focus with these symbolic constraints, our approach transforms aimless, unconstrained exploration into a convergent, directed search. Extensive evaluations on two real-world datasets demonstrate that GoS significantly outperforms all baselines, providing a robust solution for complex abductive tasks. Code repo and all prompts: https://anonymous.4open.science/r/Graph-of-States-5B4E.

Network embedding has been intensively studied in the literature and widely used in various applications, such as link prediction and node classification. While previous work focus on the design of new algorithms or are tailored for various problem settings, the discussion of initialization strategies in the learning process is often missed. In this work, we address this important issue of initialization for network embedding that could dramatically improve the performance of the algorithms on both effectiveness and efficiency. Specifically, we first exploit the graph partition technique that divides the graph into several disjoint subsets, and then construct an abstract graph based on the partitions. We obtain the initialization of the embedding for each node in the graph by computing the network embedding on the abstract graph, which is much smaller than the input graph, and then propagating the embedding among the nodes in the input graph. With extensive experiments on various datasets, we demonstrate that our initialization technique significantly improves the performance of the state-of-the-art algorithms on the evaluations of link prediction and node classification by up to 7.76% and 8.74% respectively. Besides, we show that the technique of initialization reduces the running time of the state-of-the-arts by at least 20%.

Hypergraphs are widely being employed to represent complex higher-order relations in real-world applications. Most existing research on hypergraph learning focuses on node-level or edge-level tasks. A practically relevant and more challenging task, edge-dependent node classification (ENC), is still under-explored. In ENC, a node can have different labels across different hyperedges, which requires the modeling of node features unique to each hyperedge. The state-of-the-art ENC solution, WHATsNet, only outputs single node and edge representations, leading to the limitations of entangled edge-specific features and non-adaptive representation sizes when applied to ENC. Additionally, WHATsNet suffers from the common oversmoothing issue in most HGNNs. To address these limitations, we propose CoNHD, a novel HGNN architecture specifically designed to model edge-specific features for ENC. Instead of learning separate representations for nodes and edges, CoNHD reformulates within-edge and within-node interactions as a hypergraph diffusion process over node-edge co-representations. We develop a neural implementation of the proposed diffusion process, leveraging equivariant networks as diffusion operators to effectively learn the diffusion dynamics from data. Extensive experiments demonstrate that CoNHD achieves the best performance across all benchmark ENC datasets and several downstream tasks without sacrificing efficiency. Our implementation is available at https://github.com/zhengyijia/CoNHD.

A fundamental problem in quantum many-body physics is that of finding ground states of local Hamiltonians. A number of recent works gave provably efficient machine learning (ML) algorithms for learning ground states. Specifically, [Huang et al. Science 2022], introduced an approach for learning properties of the ground state of an n-qubit gapped local Hamiltonian H from only n^{O(1)} data points sampled from Hamiltonians in the same phase of matter. This was subsequently improved by [Lewis et al. Nature Communications 2024], to O(log n) samples when the geometry of the n-qubit system is known. In this work, we introduce two approaches that achieve a constant sample complexity, independent of system size n, for learning ground state properties. Our first algorithm consists of a simple modification of the ML model used by Lewis et al. and applies to a property of interest known beforehand. Our second algorithm, which applies even if a description of the property is not known, is a deep neural network model. While empirical results showing the performance of neural networks have been demonstrated, to our knowledge, this is the first rigorous sample complexity bound on a neural network model for predicting ground state properties. We also perform numerical experiments that confirm the improved scaling of our approach compared to earlier results.

Slater-type orbitals (STOs) provide the physically correct description of atomic wavefunctions but have been largely replaced by Gaussian-type orbitals in computational chemistry due to the lack of closed-form multi-center integrals. We present a systematic study of amplitude encoding of STOs on quantum computers using matrix product states (MPS). For one-dimensional orbital functions of the form p_d(x) e^{-ζx}, we derive analytical MPS constructions with constant bond dimension χ= d + 1, requiring O(n) classical and quantum resources for n-qubit registers with no grid sampling. We demonstrate a complete one-electron integral pipeline -- overlap, kinetic energy, and nuclear attraction -- in one dimension, validating the overlap and kinetic energy on IBM Heron processors at 5~qubits with 0.67\% hardware-induced error using Zero-Noise Extrapolation. In three dimensions, we compute multi-center overlap integrals between 1s and 2s orbitals in Cartesian coordinates with 0.02\% discretization error at 18~qubits. A systematic entanglement analysis reveals that the MPS bond dimension of three-dimensional STOs in Cartesian coordinates saturates with increasing grid resolution -- reaching sim138 for the hydrogen 1s orbital at 12~qubits per coordinate -- establishing bounded encoding complexity rather than the exponential scaling initially expected. The SVD truncation threshold provides a practical resource parameter, reducing the bond dimension to 39 at threshold 10^{-6} with negligible accuracy loss. These results map the entanglement landscape for amplitude encoding of atomic orbitals and establish MPS-based state preparation as a viable path toward exact STO basis sets on quantum computers.

We present a new dataset containing 10K human-annotated games of Go and show how these natural language annotations can be used as a tool for model interpretability. Given a board state and its associated comment, our approach uses linear probing to predict mentions of domain-specific terms (e.g., ko, atari) from the intermediate state representations of game-playing agents like AlphaGo Zero. We find these game concepts are nontrivially encoded in two distinct policy networks, one trained via imitation learning and another trained via reinforcement learning. Furthermore, mentions of domain-specific terms are most easily predicted from the later layers of both models, suggesting that these policy networks encode high-level abstractions similar to those used in the natural language annotations.

Standing as one of the most significant barriers to reaching quantum advantage, state-preparation fidelities on noisy intermediate-scale quantum processors suffer from quantum-gate errors, which accumulate over time. A potential remedy is pulse-based state preparation. We numerically investigate the minimal evolution times (METs) attainable by optimizing (microwave and exchange) pulses on silicon hardware. We investigate two state preparation tasks. First, we consider the preparation of molecular ground states and find the METs for H_2, HeH^+, and LiH to be 2.4 ns, 4.4 ns, and 27.2 ns, respectively. Second, we consider transitions between arbitrary states and find the METs for transitions between arbitrary four-qubit states to be below 50 ns. For comparison, connecting arbitrary two-qubit states via one- and two-qubit gates on the same silicon processor requires approximately 200 ns. This comparison indicates that pulse-based state preparation is likely to utilize the coherence times of silicon hardware more efficiently than gate-based state preparation. Finally, we quantify the effect of silicon device parameters on the MET. We show that increasing the maximal exchange amplitude from 10 MHz to 1 GHz accelerates the METs, e.g., for H_2 from 84.3 ns to 2.4 ns. This demonstrates the importance of fast exchange. We also show that increasing the maximal amplitude of the microwave drive from 884 kHz to 56.6 MHz shortens state transitions, e.g., for two-qubit states from 1000 ns to 25 ns. Our results bound both the state-preparation times for general quantum algorithms and the execution times of variational quantum algorithms with silicon spin qubits.

This tutorial serves as a comprehensive guide for understanding graph databases, focusing on the fundamentals of graph theory while showcasing practical applications across various fields. It starts by introducing foundational concepts and delves into the structure of graphs through nodes and edges, covering different types such as undirected, directed, weighted, and unweighted graphs. Key graph properties, terminologies, and essential algorithms for network analysis are outlined, including Dijkstras shortest path algorithm and methods for calculating node centrality and graph connectivity. The tutorial highlights the advantages of graph databases over traditional relational databases, particularly in efficiently managing complex, interconnected data. It examines leading graph database systems such as Neo4j, Amazon Neptune, and ArangoDB, emphasizing their unique features for handling large datasets. Practical instructions on graph operations using NetworkX and Neo4j are provided, covering node and edge creation, attribute assignment, and advanced queries with Cypher. Additionally, the tutorial explores common graph visualization techniques using tools like Plotly and Neo4j Bloom, which enhance the interpretation and usability of graph data. It also delves into community detection algorithms, including the Louvain method, which facilitates clustering in large networks. Finally, the paper concludes with recommendations for researchers interested in exploring the vast potential of graph technologies.

Attention mechanisms have been widely used to capture long-range dependencies among nodes in Graph Transformers. Bottlenecked by the quadratic computational cost, attention mechanisms fail to scale in large graphs. Recent improvements in computational efficiency are mainly achieved by attention sparsification with random or heuristic-based graph subsampling, which falls short in data-dependent context reasoning. State space models (SSMs), such as Mamba, have gained prominence for their effectiveness and efficiency in modeling long-range dependencies in sequential data. However, adapting SSMs to non-sequential graph data presents a notable challenge. In this work, we introduce Graph-Mamba, the first attempt to enhance long-range context modeling in graph networks by integrating a Mamba block with the input-dependent node selection mechanism. Specifically, we formulate graph-centric node prioritization and permutation strategies to enhance context-aware reasoning, leading to a substantial improvement in predictive performance. Extensive experiments on ten benchmark datasets demonstrate that Graph-Mamba outperforms state-of-the-art methods in long-range graph prediction tasks, with a fraction of the computational cost in both FLOPs and GPU memory consumption. The code and models are publicly available at https://github.com/bowang-lab/Graph-Mamba.

Always-on agents are systems whose future behavior depends on durable state accumulated across earlier interactions. We treat them as persistent-state systems: the operative system includes retrievable memories, but also task ledgers, permissions, credentials, commitments, provenance and audit records, shared state, trigger conditions, and externally committed effects linked to those records. The survey reads the literature through six diagnostic axes for each state item, authority, scope, mutability, provenance, recoverability, and actionability, and through a lifecycle in which state is written, validated, organized, retrieved, acted upon, updated, forgotten, audited, and sometimes rolled back. Across a 435-work coded corpus, treated as a scoped map rather than an exhaustive census, the literature concentrates more heavily on accumulating and retrieving state than on governing, recovering, or relinquishing it. We therefore introduce the Always-On Evaluation Protocol (AOEP-v0), a pilot evaluation contract that makes these governance requirements concrete by scoring state mutation and recovery obligations rather than answer quality alone. The resulting agenda connects always-on agents to databases, distributed systems, formal methods, capability security, and machine unlearning.

Inference-Time-Compute (ITC) methods like Best-of-N and Tree-of-Thoughts are meant to produce output candidates that are both high-quality and diverse, but their use of high-temperature sampling often fails to achieve meaningful output diversity. Moreover, existing ITC methods offer limited control over how to perform reasoning, which in turn limits their explainability. We present STATe-of-Thoughts (STATe), an interpretable ITC method that searches over high-level reasoning patterns. STATe replaces stochastic sampling with discrete and interpretable textual interventions: a controller selects actions encoding high-level reasoning choices, a generator produces reasoning steps conditioned on those choices, and an evaluator scores candidates to guide search. This structured approach yields three main advantages. First, action-guided textual interventions produce greater response diversity than temperature-based sampling. Second, in a case study on argument generation, STATe's explicit action sequences capture interpretable features that are highly predictive of output quality. Third, estimating the association between performance and action choices allows us to identify promising yet unexplored regions of the action space and steer generation directly toward them. Together, these results establish STATe as a practical framework for generating high-quality, diverse, and interpretable text. Our framework is available at https://github.com/zbambergerNLP/state-of-thoughts.

Understanding neural networks is challenging in part because of the dense, continuous nature of their hidden states. We explore whether we can train neural networks to have hidden states that are sparse, discrete, and more interpretable by quantizing their continuous features into what we call codebook features. Codebook features are produced by finetuning neural networks with vector quantization bottlenecks at each layer, producing a network whose hidden features are the sum of a small number of discrete vector codes chosen from a larger codebook. Surprisingly, we find that neural networks can operate under this extreme bottleneck with only modest degradation in performance. This sparse, discrete bottleneck also provides an intuitive way of controlling neural network behavior: first, find codes that activate when the desired behavior is present, then activate those same codes during generation to elicit that behavior. We validate our approach by training codebook Transformers on several different datasets. First, we explore a finite state machine dataset with far more hidden states than neurons. In this setting, our approach overcomes the superposition problem by assigning states to distinct codes, and we find that we can make the neural network behave as if it is in a different state by activating the code for that state. Second, we train Transformer language models with up to 410M parameters on two natural language datasets. We identify codes in these models representing diverse, disentangled concepts (ranging from negative emotions to months of the year) and find that we can guide the model to generate different topics by activating the appropriate codes during inference. Overall, codebook features appear to be a promising unit of analysis and control for neural networks and interpretability. Our codebase and models are open-sourced at https://github.com/taufeeque9/codebook-features.

Embodied AI agents that search for objects in large environments such as households often need to make efficient decisions by predicting object locations based on partial information. We pose this as a new type of link prediction problem: link prediction on partially observable dynamic graphs. Our graph is a representation of a scene in which rooms and objects are nodes, and their relationships are encoded in the edges; only parts of the changing graph are known to the agent at each timestep. This partial observability poses a challenge to existing link prediction approaches, which we address. We propose a novel state representation -- Scene Graph Memory (SGM) -- with captures the agent's accumulated set of observations, as well as a neural net architecture called a Node Edge Predictor (NEP) that extracts information from the SGM to search efficiently. We evaluate our method in the Dynamic House Simulator, a new benchmark that creates diverse dynamic graphs following the semantic patterns typically seen at homes, and show that NEP can be trained to predict the locations of objects in a variety of environments with diverse object movement dynamics, outperforming baselines both in terms of new scene adaptability and overall accuracy. The codebase and more can be found at https://www.scenegraphmemory.com.

Dynamic graph neural networks (DGNNs) that operate on snapshot sequences typically fall into one of two categories. Temporal-first approaches build per-node temporal embeddings and only afterwards perform spatial aggregation, whereas Spatial-first approaches invert this order, feeding the output of a graph convolution into a downstream temporal module. In either case, the rigid sequencing forces the second stage to consume an already-compressed summary produced by the first, ruling out joint reasoning over topology and evolution; concretely, the message-passing operator never gets to weight a neighbor's contribution by that neighbor's past trajectory. This paper introduces SiST-GNN (Simultaneous Spatial-Temporal GNN), which fuses the two signals inside a single message-passing operation rather than chaining them. Concretely, at each snapshot we maintain a recurrent hidden state per node that summarises its history, pair it with the node's current feature vector, and treat the pair as two nodes joined by a cross-time edge; running a standard graph convolution on this temporally augmented graph yields the updated representation. Our empirical study spans nine public baselines and fourteen model-dataset combinations, covering both fixed-split and live-update evaluation regimes. Across every public benchmark, SiST-GNN sets a new state of the art in link prediction task over the strongest prior method by 109--277% in the fixed-split setting and by 68--194% in the live-update setting. We additionally construct three dynamic node-classification tasks by discretising the underlying continuous-time event streams; here SiST-GNN beats the leading discrete-time (DTDG) baseline by 7--22% and matches continuous-time (CTDG) methods that consume the raw events directly.

Neural networks acquire structured representations at specific moments during training, yet identifying these transitions typically relies on retrospective, label-dependent metrics. We introduce a bifurcation theory of representation dynamics to detect these moments in real time. Analyzing a passive GMM probe attached to the evolving encoder, we show the onset of structure corresponds to a supercritical pitchfork bifurcation driven by the loss Hessian. The system exhibits a theoretically predictable zero-crossing (β_c) that, compared to the network's current state (β), yields a dynamic ratio β(t)/β_c(t): a universal, label-free phase coordinate for representation dynamics, computable entirely from hidden states. We empirically validate four distinct transition regimes predicted by this coordinate across diverse settings: SAEs on language models (Pythia), SSL (CIFAR), and grokking (modular arithmetic). Crucially, under finite dissipation, macroscopic symmetry-breaking can lag the initial zero-crossing by orders of magnitude, which providing a rigorous dynamical account of the delayed escape observed in grokking. Microscopically, the bifurcation creates a shared unstable subspace, forcing collective symmetry breaking. We term this the "feature lottery" in SAE training: a feature's terminal interpretability becomes predictable remarkably early. By only 5% of training, early atom purity robustly predicts final convergence purity, with top-decile early atoms achieving over 12x the baseline purity at convergence. Beyond explaining concept emergence, β/β_c provides a practical early-warning indicator for training health, detecting the onset of usable structure, the crystallization of feature identity, and representational collapse epochs before downstream metrics react.

Providing Large Language Models with relevant contextual knowledge at inference time has been shown to greatly improve the quality of their generations. This is often achieved by prepending informative passages of text, or 'contexts', retrieved from external knowledge bases to their input. However, processing additional contexts online incurs significant computation costs that scale with their length. State Space Models (SSMs) offer a promising solution by allowing a database of contexts to be mapped onto fixed-dimensional states from which to start the generation. A key challenge arises when attempting to leverage information present across multiple contexts, since there is no straightforward way to condition generation on multiple independent states in existing SSMs. To address this, we leverage a simple mathematical relation derived from SSM dynamics to compose multiple states into one that efficiently approximates the effect of concatenating raw context tokens. Since the temporal ordering of contexts can often be uninformative, we enforce permutation-invariance by efficiently averaging states obtained via our composition algorithm across all possible context orderings. We evaluate our resulting method on WikiText and MSMARCO in both zero-shot and fine-tuned settings, and show that we can match the strongest performing baseline while enjoying on average 5.4x speedup.

State-of-the-art neural algorithmic reasoners make use of message passing in graph neural networks (GNNs). But typical GNNs blur the distinction between the definition and invocation of the message function, forcing a node to send messages to its neighbours at every layer, synchronously. When applying GNNs to learn to execute dynamic programming algorithms, however, on most steps only a handful of the nodes would have meaningful updates to send. One, hence, runs the risk of inefficiencies by sending too much irrelevant data across the graph -- with many intermediate GNN steps having to learn identity functions. In this work, we explicitly separate the concepts of node state update and message function invocation. With this separation, we obtain a mathematical formulation that allows us to reason about asynchronous computation in both algorithms and neural networks.

Modeling long range dependencies in sequential data is a fundamental step towards attaining human-level performance in many modalities such as text, vision, audio and video. While attention-based models are a popular and effective choice in modeling short-range interactions, their performance on tasks requiring long range reasoning has been largely inadequate. In an exciting result, Gu et al. (ICLR 2022) proposed the Structured State Space (S4) architecture delivering large gains over state-of-the-art models on several long-range tasks across various modalities. The core proposition of S4 is the parameterization of state matrices via a diagonal plus low rank structure, allowing efficient computation. In this work, we show that one can match the performance of S4 even without the low rank correction and thus assuming the state matrices to be diagonal. Our Diagonal State Space (DSS) model matches the performance of S4 on Long Range Arena tasks, speech classification on Speech Commands dataset, while being conceptually simpler and straightforward to implement.

Large language models (LLMs) contain substantial factual knowledge which is commonly elicited by multiple-choice question-answering prompts. Internally, such models process the prompt through multiple transformer layers, building varying representations of the problem within its hidden states. Ultimately, however, only the hidden state corresponding to the final layer and token position are used to predict the answer label. In this work, we propose instead to learn a small separate neural network predictor module on a collection of training questions, that take the hidden states from all the layers at the last temporal position as input and outputs predictions. In effect, such a framework disentangles the representational abilities of LLMs from their predictive abilities. On a collection of hard benchmarks, our method achieves considerable improvements in performance, sometimes comparable to supervised fine-tuning procedures, but at a fraction of the computational cost.

Recent progress in using machine learning models for reasoning tasks has been driven by novel model architectures, large-scale pre-training protocols, and dedicated reasoning datasets for fine-tuning. In this work, to further pursue these advances, we introduce a new data generator for machine reasoning that integrates with an embodied agent. The generated data consists of templated text queries and answers, matched with world-states encoded into a database. The world-states are a result of both world dynamics and the actions of the agent. We show the results of several baseline models on instantiations of train sets. These include pre-trained language models fine-tuned on a text-formatted representation of the database, and graph-structured Transformers operating on a knowledge-graph representation of the database. We find that these models can answer some questions about the world-state, but struggle with others. These results hint at new research directions in designing neural reasoning models and database representations. Code to generate the data will be released at github.com/facebookresearch/neuralmemory

We present an attention mechanism inspired from definition of screened Coulomb potential. This attention mechanism was used to interpret the Graph Attention (GAT) model layers and training dataset by using a flexible and scalable framework (CoulGAT) developed for this purpose. Using CoulGAT, a forest of plain and resnet models were trained and characterized using this attention mechanism against CHAMPS dataset. The learnable variables of the attention mechanism are used to extract node-node and node-feature interactions to define an empirical standard model for the graph structure and hidden layer. This representation of graph and hidden layers can be used as a tool to compare different models, optimize hidden layers and extract a compact definition of graph structure of the dataset.

Language models show a surprising range of capabilities, but the source of their apparent competence is unclear. Do these networks just memorize a collection of surface statistics, or do they rely on internal representations of the process that generates the sequences they see? We investigate this question by applying a variant of the GPT model to the task of predicting legal moves in a simple board game, Othello. Although the network has no a priori knowledge of the game or its rules, we uncover evidence of an emergent nonlinear internal representation of the board state. Interventional experiments indicate this representation can be used to control the output of the network and create "latent saliency maps" that can help explain predictions in human terms.

We investigate the entanglement properties in the symmetric subspace of N-partite d-dimensional systems (qudits). For diagonal symmetric states, we show that there is no bound entanglement for d = 3,4 and N = 3. Further, we present a constructive algorithm to map multipartite diagonal symmetric states of qudits onto bipartite symmetric states of larger local dimension. This technique greatly simplifies the analysis of multipartite states and allows to infer entanglement properties for any even N geq 4 due to the fact that the PPT conditions that arise from the bipartite symmetric state correspond to the same PPT conditions that appear in the multipartite diagonal symmetric state.

In this paper, we study the flow of signals through linear paths with the nonlinear condition that a node emits a signal when it receives external stimuli or when two incoming signals from other nodes arrive coincidentally with a combined amplitude above a fixed threshold. Sets of such nodes form a polychrony group and can sometimes lead to cascades. In the context of this work, cascades are polychrony groups in which the number of nodes activated as a consequence of other nodes is greater than the number of externally activated nodes. The difference between these two numbers is the so-called profit. Given the initial conditions, we predict the conditions for a vertex to activate at a prescribed time and provide an algorithm to efficiently reconstruct a cascade. We develop a dictionary between polychrony groups and graph theory. We call the graph corresponding to a cascade a chinampa. This link leads to a topological classification of chinampas. We enumerate the chinampas of profits zero and one and the description of a family of chinampas isomorphic to a family of partially ordered sets, which implies that the enumeration problem of this family is equivalent to computing the Stanley-order polynomials of those partially ordered sets.

While the influence of galaxy clusters on galaxy evolution is relatively well-understood, the impact of the dynamical states of these clusters is less clear. This paper series explores how the dynamical state of galaxy clusters affects their galaxy populations' physical and morphological properties. The primary aim of this first paper is to evaluate the dynamical state of 87 massive (M_{500} geq 1.5 times 10^{14} M_{odot}) galaxy clusters at low redshifts (0.10 leq z leq 0.35). This will allow us to have a well-characterized sample for analyzing physical and morphological properties in our next work. We employ six dynamical state proxies utilizing optical and X-ray imaging data. Principal Component Analysis (PCA) is applied to integrate these proxies effectively, allowing for robust classification of galaxy clusters into relaxed, intermediate, and disturbed states based on their dynamical characteristics. The methodology successfully segregates the galaxy clusters into the three dynamical states. Examination of the galaxy distributions in optical wavelengths and gas distributions in X-ray further confirms the consistency of these classifications. The clusters' dynamical states are statistically distinguishable, providing a clear categorization for further analysis.

We present the first dataset for tracking state changes in procedural text from arbitrary domains by using an unrestricted (open) vocabulary. For example, in a text describing fog removal using potatoes, a car window may transition between being foggy, sticky,opaque, and clear. Previous formulations of this task provide the text and entities involved,and ask how those entities change for just a small, pre-defined set of attributes (e.g., location), limiting their fidelity. Our solution is a new task formulation where given just a procedural text as input, the task is to generate a set of state change tuples(entity, at-tribute, before-state, after-state)for each step,where the entity, attribute, and state values must be predicted from an open vocabulary. Using crowdsourcing, we create OPENPI1, a high-quality (91.5% coverage as judged by humans and completely vetted), and large-scale dataset comprising 29,928 state changes over 4,050 sentences from 810 procedural real-world paragraphs from WikiHow.com. A current state-of-the-art generation model on this task achieves 16.1% F1 based on BLEU metric, leaving enough room for novel model architectures.

We propose a quantum version of a generative diffusion model. In this algorithm, artificial neural networks are replaced with parameterized quantum circuits, in order to directly generate quantum states. We present both a full quantum and a latent quantum version of the algorithm; we also present a conditioned version of these models. The models' performances have been evaluated using quantitative metrics complemented by qualitative assessments. An implementation of a simplified version of the algorithm has been executed on real NISQ quantum hardware.

The role of hidden units in recurrent neural networks is typically seen as modeling memory, with research focusing on enhancing information retention through gating mechanisms. A less explored perspective views hidden units as active participants in the computation performed by the network, rather than passive memory stores. In this work, we revisit bi-linear operations, which involve multiplicative interactions between hidden units and input embeddings. We demonstrate theoretically and empirically that they constitute a natural inductive bias for representing the evolution of hidden states in state tracking tasks. These are the simplest type of task that require hidden units to actively contribute to the behavior of the network. We also show that bi-linear state updates form a natural hierarchy corresponding to state tracking tasks of increasing complexity, with popular linear recurrent networks such as Mamba residing at the lowest-complexity center of that hierarchy.

Leveraging generative Artificial Intelligence (AI), we have transformed a dataset comprising 1,000 scientific papers into an ontological knowledge graph. Through an in-depth structural analysis, we have calculated node degrees, identified communities and connectivities, and evaluated clustering coefficients and betweenness centrality of pivotal nodes, uncovering fascinating knowledge architectures. The graph has an inherently scale-free nature, is highly connected, and can be used for graph reasoning by taking advantage of transitive and isomorphic properties that reveal unprecedented interdisciplinary relationships that can be used to answer queries, identify gaps in knowledge, propose never-before-seen material designs, and predict material behaviors. We compute deep node embeddings for combinatorial node similarity ranking for use in a path sampling strategy links dissimilar concepts that have previously not been related. One comparison revealed structural parallels between biological materials and Beethoven's 9th Symphony, highlighting shared patterns of complexity through isomorphic mapping. In another example, the algorithm proposed a hierarchical mycelium-based composite based on integrating path sampling with principles extracted from Kandinsky's 'Composition VII' painting. The resulting material integrates an innovative set of concepts that include a balance of chaos/order, adjustable porosity, mechanical strength, and complex patterned chemical functionalization. We uncover other isomorphisms across science, technology and art, revealing a nuanced ontology of immanence that reveal a context-dependent heterarchical interplay of constituents. Graph-based generative AI achieves a far higher degree of novelty, explorative capacity, and technical detail, than conventional approaches and establishes a widely useful framework for innovation by revealing hidden connections.

The theory of open quantum systems lays the foundations for a substantial part of modern research in quantum science and engineering. Rooted in the dimensionality of their extended Hilbert spaces, the high computational complexity of simulating open quantum systems calls for the development of strategies to approximate their dynamics. In this paper, we present an approach for tackling open quantum system dynamics. Using an exact probabilistic formulation of quantum physics based on positive operator-valued measure (POVM), we compactly represent quantum states with autoregressive transformer neural networks; such networks bring significant algorithmic flexibility due to efficient exact sampling and tractable density. We further introduce the concept of String States to partially restore the symmetry of the autoregressive transformer neural network and improve the description of local correlations. Efficient algorithms have been developed to simulate the dynamics of the Liouvillian superoperator using a forward-backward trapezoid method and find the steady state via a variational formulation. Our approach is benchmarked on prototypical one and two-dimensional systems, finding results which closely track the exact solution and achieve higher accuracy than alternative approaches based on using Markov chain Monte Carlo to sample restricted Boltzmann machines. Our work provides general methods for understanding quantum dynamics in various contexts, as well as techniques for solving high-dimensional probabilistic differential equations in classical setups.

Scientific discovery is not only answer generation but revision of the representational regime in which evidence, artifacts, operations, and verifiers are typed. We develop a category-theoretic account of agentic discovery for materials science. In a fixed regime b with schema category S_b, the system state is a copresheaf I_t: S_b -> Set, and provenance is the category of elements \int_{S_b} I_t. Fixed-regime operation is an update on such states, endofunctorial only when provenance-preserving refinements are specified and preserved. Discovery is instead a verified regime transition u: S_b -> S_b': old artifacts are preserved, transported by the left Kan extension Lan_u I_t, and compared with the post-transition state to identify residual content beyond functorial transport. This separates retrieval, search, and discovery without subjective novelty. We instantiate the framework in two systems. In Builder/Breaker, a protein-mechanics world model is revised under a Minimum Description Length gate; the accepted law expresses within-chain flexibility as all-mode elastic compliance conditioned by slow collective-mode participation, or mode-conditioned compliance. In CategoryScienceClaw, typed skills, artifacts, open needs, workflow mutation, gates, stress tests, and public discourse become a proof-carrying knowledge-computation graph. A fiber-network example records candidate models, rejected alternatives, an AIC gate, perturbation tests, and an accepted orientation-tensor anisotropic stiffness surrogate over an isotropic fiber-count descriptor. Together, the cases show how category theory can be both a mathematical language for discovery and an engineering specification for self-revising AI discovery systems.

Graph Neural Networks (GNNs) have shown great promise in learning node embeddings for link prediction (LP). While numerous studies aim to improve the overall LP performance of GNNs, none have explored its varying performance across different nodes and its underlying reasons. To this end, we aim to demystify which nodes will perform better from the perspective of their local topology. Despite the widespread belief that low-degree nodes exhibit poorer LP performance, our empirical findings provide nuances to this viewpoint and prompt us to propose a better metric, Topological Concentration (TC), based on the intersection of the local subgraph of each node with the ones of its neighbors. We empirically demonstrate that TC has a higher correlation with LP performance than other node-level topological metrics like degree and subgraph density, offering a better way to identify low-performing nodes than using cold-start. With TC, we discover a novel topological distribution shift issue in which newly joined neighbors of a node tend to become less interactive with that node's existing neighbors, compromising the generalizability of node embeddings for LP at testing time. To make the computation of TC scalable, We further propose Approximated Topological Concentration (ATC) and theoretically/empirically justify its efficacy in approximating TC and reducing the computation complexity. Given the positive correlation between node TC and its LP performance, we explore the potential of boosting LP performance via enhancing TC by re-weighting edges in the message-passing and discuss its effectiveness with limitations. Our code is publicly available at https://github.com/YuWVandy/Topo_LP_GNN.

Information flows by routes inside the network via mechanisms implemented in the model. These routes can be represented as graphs where nodes correspond to token representations and edges to operations inside the network. We automatically build these graphs in a top-down manner, for each prediction leaving only the most important nodes and edges. In contrast to the existing workflows relying on activation patching, we do this through attribution: this allows us to efficiently uncover existing circuits with just a single forward pass. Additionally, the applicability of our method is far beyond patching: we do not need a human to carefully design prediction templates, and we can extract information flow routes for any prediction (not just the ones among the allowed templates). As a result, we can talk about model behavior in general, for specific types of predictions, or different domains. We experiment with Llama 2 and show that the role of some attention heads is overall important, e.g. previous token heads and subword merging heads. Next, we find similarities in Llama 2 behavior when handling tokens of the same part of speech. Finally, we show that some model components can be specialized on domains such as coding or multilingual texts.

In Retrieval-Augmented Generation (RAG) and agent-based frameworks, the "Chain of Models" approach is widely used, where multiple specialized models work sequentially on distinct sub-tasks. This approach is effective but increases resource demands as each model must be deployed separately. Recent advancements attempt to address this by applying prompt tuning, which allows a shared base model to adapt to multiple tasks with minimal parameter changes. However, a key challenge remains: intermediate outputs, passed between models as plain text, require recomputation of hidden states (i.e., Key and Value (KV) states in Transformers) during inference. In this paper, we introduce FTHSS, a novel prompt-tuning method that enables models to share KV hidden states, eliminating redundant forward passes and reducing KV cache storage. By modifying input and attention masks during training, FTHSS allows models to effectively utilize KV hidden states from prior models in both single- and multi-round scenarios. Empirical results on four tasks show that FTHSS matches the performance of traditional model chains while improving inference efficiency.

The dot product attention mechanism, originally designed for natural language processing tasks, is a cornerstone of modern Transformers. It adeptly captures semantic relationships between word pairs in sentences by computing a similarity overlap between queries and keys. In this work, we explore the suitability of Transformers, focusing on their attention mechanisms, in the specific domain of the parametrization of variational wave functions to approximate ground states of quantum many-body spin Hamiltonians. Specifically, we perform numerical simulations on the two-dimensional J_1-J_2 Heisenberg model, a common benchmark in the field of quantum many-body systems on lattice. By comparing the performance of standard attention mechanisms with a simplified version that excludes queries and keys, relying solely on positions, we achieve competitive results while reducing computational cost and parameter usage. Furthermore, through the analysis of the attention maps generated by standard attention mechanisms, we show that the attention weights become effectively input-independent at the end of the optimization. We support the numerical results with analytical calculations, providing physical insights of why queries and keys should be, in principle, omitted from the attention mechanism when studying large systems.

A central puzzle for the behavioural sciences and for human-facing artificial intelligence is the persistence of within-person variability. The same individual, presented with the same observable input, produces different outcomes on different occasions, and different individuals produce divergent outcomes that no observable covariate fully predicts. We argue that this variability belongs in the dynamic latent state of the person, and that human outcomes are controllable in a precise and operational sense through interventions that target the state and its weighting at the moment a decision is being formed. We define a state as the time-indexed weighting vector over the dimensions that govern how an individual's biology, physiology, and neuropsychology process the next event into a decision and an outcome. The relationship between state, decision, and outcome is causal rather than correlational. The weighting vector is dynamic at sub-daily timescales. The conscious channel through which outcomes are reportable is a narrow attentional bottleneck whose contents are themselves state-dependent. Taken together, these claims imply that the outcome of a given event is controllable, conditionally, on the state-trajectory at the time of intervention. We motivate the framework with six strands of established evidence (causal inference, predictive processing, allostasis, attentional bottleneck, chronobiology, computational psychiatry) and a 24-month observational base from a deployed behavioural platform spanning more than 200,000 consented users across four occupational personas (research period 2023 to 2026). We derive seven testable predictions, list six operational requirements for state-aware systems, and discuss implications for digital health, education, AI personalisation, and personal agency.

Hopfield attractor networks are robust distributed models of human memory, but lack a general mechanism for effecting state-dependent attractor transitions in response to input. We propose construction rules such that an attractor network may implement an arbitrary finite state machine (FSM), where states and stimuli are represented by high-dimensional random vectors, and all state transitions are enacted by the attractor network's dynamics. Numerical simulations show the capacity of the model, in terms of the maximum size of implementable FSM, to be linear in the size of the attractor network for dense bipolar state vectors, and approximately quadratic for sparse binary state vectors. We show that the model is robust to imprecise and noisy weights, and so a prime candidate for implementation with high-density but unreliable devices. By endowing attractor networks with the ability to emulate arbitrary FSMs, we propose a plausible path by which FSMs could exist as a distributed computational primitive in biological neural networks.

Procedural text describes dynamic state changes during a step-by-step natural process (e.g., photosynthesis). In this work, we focus on the task of procedural text understanding, which aims to comprehend such documents and track entities' states and locations during a process. Although recent approaches have achieved substantial progress, their results are far behind human performance. Two challenges, the difficulty of commonsense reasoning and data insufficiency, still remain unsolved, which require the incorporation of external knowledge bases. Previous works on external knowledge injection usually rely on noisy web mining tools and heuristic rules with limited applicable scenarios. In this paper, we propose a novel KnOwledge-Aware proceduraL text understAnding (KOALA) model, which effectively leverages multiple forms of external knowledge in this task. Specifically, we retrieve informative knowledge triples from ConceptNet and perform knowledge-aware reasoning while tracking the entities. Besides, we employ a multi-stage training schema which fine-tunes the BERT model over unlabeled data collected from Wikipedia before further fine-tuning it on the final model. Experimental results on two procedural text datasets, ProPara and Recipes, verify the effectiveness of the proposed methods, in which our model achieves state-of-the-art performance in comparison to various baselines.

Graph neural networks achieve high accuracy in link prediction by jointly leveraging graph topology and node attributes. Topology, however, is represented indirectly; state-of-the-art methods based on subgraph classification label nodes with distance to the target link, so that, although topological information is present, it is tempered by pooling. This makes it challenging to leverage features like loops and motifs associated with network formation mechanisms. We propose a link prediction algorithm based on a new pooling scheme called WalkPool. WalkPool combines the expressivity of topological heuristics with the feature-learning ability of neural networks. It summarizes a putative link by random walk probabilities of adjacent paths. Instead of extracting transition probabilities from the original graph, it computes the transition matrix of a "predictive" latent graph by applying attention to learned features; this may be interpreted as feature-sensitive topology fingerprinting. WalkPool can leverage unsupervised node features or be combined with GNNs and trained end-to-end. It outperforms state-of-the-art methods on all common link prediction benchmarks, both homophilic and heterophilic, with and without node attributes. Applying WalkPool to a set of unsupervised GNNs significantly improves prediction accuracy, suggesting that it may be used as a general-purpose graph pooling scheme.

We introduce the category of information structures, whose objects are suitable diagrams of measurable sets that encode the possible outputs of a given family of observables and their mutual relationships of refinement; they serve as mathematical models of contextuality in classical and quantum settings. Each information structure can be regarded as a ringed site with trivial topology; the structure ring is generated by the observables themselves and its multiplication corresponds to joint measurement. We extend Baudot and Bennequin's definition of information cohomology to this setting, as a derived functor in the category of modules over the structure ring, and show explicitly that the bar construction gives a projective resolution in that category, recovering in this way the cochain complexes previously considered in the literature. Finally, we study the particular case of a one-parameter family of coefficients made of functions of probability distributions. The only 1-cocycles are Shannon entropy or Tsallis alpha-entropy, depending on the value of the parameter.

This paper discusses a simple and explicit toy-model example of the categorical Hopfield equations introduced in previous work of Manin and the author. These describe dynamical assignments of resources to networks, where resources are objects in unital symmetric monoidal categories and assignments are realized by summing functors. The special case discussed here is based on computational resources (computational models of neurons) as objects in a category of DNNs, with a simple choice of the endofunctors defining the Hopfield equations that reproduce the usual updating of the weights in DNNs by gradient descent.

Simulating large, strongly interacting fermionic systems remains a major challenge for existing numerical methods. In this work, we present, for the first time, the application of neural quantum states - specifically, hidden fermion determinant states (HFDS) - to simulate the strongly interacting limit of the Fermi-Hubbard model, namely the t-J model, across the entire doping regime. We demonstrate that HFDS achieve energies competitive with matrix product states (MPS) on lattices as large as 8 times 8 sites while using several orders of magnitude fewer parameters, suggesting the potential for efficient application to even larger system sizes. This remarkable efficiency enables us to probe low-energy physics across the full doping range, providing new insights into the competition between kinetic and magnetic interactions and the nature of emergent quasiparticles. Starting from the low-doping regime, where magnetic polarons dominate the low energy physics, we track their evolution with increasing doping through analyses of spin and polaron correlation functions. Our findings demonstrate the potential of determinant-based neural quantum states with inherent fermionic sign structure, opening the way for simulating large-scale fermionic systems at any particle filling.

A new prior is proposed for learning representations of high-level concepts of the kind we manipulate with language. This prior can be combined with other priors in order to help disentangling abstract factors from each other. It is inspired by cognitive neuroscience theories of consciousness, seen as a bottleneck through which just a few elements, after having been selected by attention from a broader pool, are then broadcast and condition further processing, both in perception and decision-making. The set of recently selected elements one becomes aware of is seen as forming a low-dimensional conscious state. This conscious state is combining the few concepts constituting a conscious thought, i.e., what one is immediately conscious of at a particular moment. We claim that this architectural and information-processing constraint corresponds to assumptions about the joint distribution between high-level concepts. To the extent that these assumptions are generally true (and the form of natural language seems consistent with them), they can form a useful prior for representation learning. A low-dimensional thought or conscious state is analogous to a sentence: it involves only a few variables and yet can make a statement with very high probability of being true. This is consistent with a joint distribution (over high-level concepts) which has the form of a sparse factor graph, i.e., where the dependencies captured by each factor of the factor graph involve only very few variables while creating a strong dip in the overall energy function. The consciousness prior also makes it natural to map conscious states to natural language utterances or to express classical AI knowledge in a form similar to facts and rules, albeit capturing uncertainty as well as efficient search mechanisms implemented by attention mechanisms.

Conventional community detection requires centralized network data, making it unsuitable for distributed or privacy-preserving systems. In this paper, we demonstrate that macroscopic graph partitioning can emerge purely from strictly local, privacy preserving interactions driven by social learning. By reframing clustering as a symmetry-breaking process within nonlinear opinion dynamics, we show that exchanging saturated state dependent signal (like public actions) forces a network to naturally fracture along its sparsest cuts. We mathematically establish the spectral conditions under which dense core communities lock into stable, polarized states, robustly resisting external influence. To apply this mechanism, we propose three decentralized algorithms, leading up to the Score-based Edge Reliability (SER) framework. By evaluating network ties across multiple independent discussion topics, SER statistically bypasses the errors of traditional greedy bisections and naturally isolates structurally ambiguous frontier nodes. Validations on the ABCD benchmark and the real-world Ngogo chimpanzee network confirm that our fully decentralized approach matches the accuracy of globally optimized heuristics (e.g., Louvain, Leiden) up to a theoretical limit of detectable graphs.

For robotic agents operating in dynamic environments, learning visual state representations from streaming video observations is essential for sequential decision making. Recent self-supervised learning methods have shown strong transferability across vision tasks, but they do not explicitly address what a good visual state should encode. We argue that effective visual states must capture what-is-where by jointly encoding the semantic identities of scene elements and their spatial locations, enabling reliable detection of subtle dynamics across observations. To this end, we propose CroBo, a visual state representation learning framework based on a global-to-local reconstruction objective. Given a reference observation compressed into a compact bottleneck token, CroBo learns to reconstruct heavily masked patches in a local target crop from sparse visible cues, using the global bottleneck token as context. This learning objective encourages the bottleneck token to encode a fine-grained representation of scene-wide semantic entities, including their identities, spatial locations, and configurations. As a result, the learned visual states reveal how scene elements move and interact over time, supporting sequential decision making. We evaluate CroBo on diverse vision-based robot policy learning benchmarks, where it achieves state-of-the-art performance. Reconstruction analyses and perceptual straightness experiments further show that the learned representations preserve pixel-level scene composition and encode what-moves-where across observations. Project page available at: https://seokminlee-chris.github.io/CroBo-ProjectPage.

Graph neural networks have recently achieved remarkable success in representing graph-structured data, with rapid progress in both the node embedding and graph pooling methods. Yet, they mostly focus on capturing information from the nodes considering their connectivity, and not much work has been done in representing the edges, which are essential components of a graph. However, for tasks such as graph reconstruction and generation, as well as graph classification tasks for which the edges are important for discrimination, accurately representing edges of a given graph is crucial to the success of the graph representation learning. To this end, we propose a novel edge representation learning framework based on Dual Hypergraph Transformation (DHT), which transforms the edges of a graph into the nodes of a hypergraph. This dual hypergraph construction allows us to apply message-passing techniques for node representations to edges. After obtaining edge representations from the hypergraphs, we then cluster or drop edges to obtain holistic graph-level edge representations. We validate our edge representation learning method with hypergraphs on diverse graph datasets for graph representation and generation performance, on which our method largely outperforms existing graph representation learning methods. Moreover, our edge representation learning and pooling method also largely outperforms state-of-the-art graph pooling methods on graph classification, not only because of its accurate edge representation learning, but also due to its lossless compression of the nodes and removal of irrelevant edges for effective message-passing.

Conventional state representations in reinforcement learning often omit critical task-related details, presenting a significant challenge for value networks in establishing accurate mappings from states to task rewards. Traditional methods typically depend on extensive sample learning to enrich state representations with task-specific information, which leads to low sample efficiency and high time costs. Recently, surging knowledgeable large language models (LLM) have provided promising substitutes for prior injection with minimal human intervention. Motivated by this, we propose LLM-Empowered State Representation (LESR), a novel approach that utilizes LLM to autonomously generate task-related state representation codes which help to enhance the continuity of network mappings and facilitate efficient training. Experimental results demonstrate LESR exhibits high sample efficiency and outperforms state-of-the-art baselines by an average of 29% in accumulated reward in Mujoco tasks and 30% in success rates in Gym-Robotics tasks.

Symbolic world modeling requires inferring and representing an environment's transitional dynamics as an executable program. Prior work has focused on largely deterministic environments with abundant interaction data, simple mechanics, and human guidance. We address a more realistic and challenging setting, learning in a complex, stochastic environment where the agent has only "one life" to explore a hostile environment without human guidance. We introduce OneLife, a framework that models world dynamics through conditionally-activated programmatic laws within a probabilistic programming framework. Each law operates through a precondition-effect structure, activating in relevant world states. This creates a dynamic computation graph that routes inference and optimization only through relevant laws, avoiding scaling challenges when all laws contribute to predictions about a complex, hierarchical state, and enabling the learning of stochastic dynamics even with sparse rule activation. To evaluate our approach under these demanding constraints, we introduce a new evaluation protocol that measures (a) state ranking, the ability to distinguish plausible future states from implausible ones, and (b) state fidelity, the ability to generate future states that closely resemble reality. We develop and evaluate our framework on Crafter-OO, our reimplementation of the Crafter environment that exposes a structured, object-oriented symbolic state and a pure transition function that operates on that state alone. OneLife can successfully learn key environment dynamics from minimal, unguided interaction, outperforming a strong baseline on 16 out of 23 scenarios tested. We also test OneLife's planning ability, with simulated rollouts successfully identifying superior strategies. Our work establishes a foundation for autonomously constructing programmatic world models of unknown, complex environments.

I introduce a novel mathematical framework integrating topological dynamics, operator algebras, and ergodic geometry to study lattices of asynchronous metric dynamical systems. Each node in the lattice carries an internal flow represented by a one-parameter family of operators, evolving on its own time scale. I formalize stratified state spaces capturing multiple levels of synchronized behavior, define an asynchronous evolution metric that quantifies phase-offset distances between subsystems, and characterize emergent coherent topologies arising when subsystems synchronize. Within this framework, I develop formal operators for the evolution of each subsystem and give precise conditions under which phase-aligned synchronization occurs across the lattice. The main results include: (1) the existence and uniqueness of coherent (synchronized) states under a contractive coupling condition, (2) stability of these coherent states and criteria for their emergence as a collective phase transition in a continuous operator topology, and (3) the influence of symmetries, with group-invariant coupling leading to flow-invariant synchrony subspaces and structured cluster dynamics. Proofs are given for each theorem, demonstrating full mathematical rigor. In a final section, I discuss hypothetical applications of this framework to symbolic lattice systems (e.g. subshifts), to invariant group actions on dynamical lattices, and to operator fields over stratified manifolds in the spirit of noncommutative geometry. Throughout, I write in the first person to emphasize the exploratory nature of this work. The paper avoids any reference to cosmology or observers, focusing instead on clean, formal mathematics suitable for a broad array of dynamical systems.

Hypergraphs are a powerful abstraction for representing higher-order interactions between entities of interest. To exploit these relationships in making downstream predictions, a variety of hypergraph neural network architectures have recently been proposed, in large part building upon precursors from the more traditional graph neural network (GNN) literature. Somewhat differently, in this paper we begin by presenting an expressive family of parameterized, hypergraph-regularized energy functions. We then demonstrate how minimizers of these energies effectively serve as node embeddings that, when paired with a parameterized classifier, can be trained end-to-end via a supervised bilevel optimization process. Later, we draw parallels between the implicit architecture of the predictive models emerging from the proposed bilevel hypergraph optimization, and existing GNN architectures in common use. Empirically, we demonstrate state-of-the-art results on various hypergraph node classification benchmarks. Code is available at https://github.com/yxzwang/PhenomNN.

Quantum networks are complex systems formed by the interaction among quantum processors through quantum channels. Analogous to classical computer networks, quantum networks allow for the distribution of quantum computation among quantum computers. In this work, we describe a quantum walk protocol to perform distributed quantum computing in a quantum network. The protocol uses a quantum walk as a quantum control signal to perform distributed quantum operations. We consider a generalization of the discrete-time coined quantum walk model that accounts for the interaction between a quantum walker system in the network graph with quantum registers inside the network nodes. The protocol logically captures distributed quantum computing, abstracting hardware implementation and the transmission of quantum information through channels. Control signal transmission is mapped to the propagation of the walker system across the network, while interactions between the control layer and the quantum registers are embedded into the application of coin operators. We demonstrate how to use the quantum walker system to perform a distributed CNOT operation, which shows the universality of the protocol for distributed quantum computing. Furthermore, we apply the protocol to the task of entanglement distribution in a quantum network.

The distribution of high-quality Greenberger-Horne-Zeilinger (GHZ) states is at the heart of many quantum communication tasks, ranging from extending the baseline of telescopes to secret sharing. They also play an important role in error-correction architectures for distributed quantum computation, where Bell pairs can be leveraged to create an entangled network of quantum computers. We investigate the creation and distillation of GHZ states out of non-perfect Bell pairs over quantum networks. In particular, we introduce a heuristic dynamic programming algorithm to optimize over a large class of protocols that create and purify GHZ states. All protocols considered use a common framework based on measurements of non-local stabilizer operators of the target state (i.e., the GHZ state), where each non-local measurement consumes another (non-perfect) entangled state as a resource. The new protocols outperform previous proposals for scenarios without decoherence and local gate noise. Furthermore, the algorithms can be applied for finding protocols for any number of parties and any number of entangled pairs involved.

We present a distributed data structure, which we call the rainbow skip graph. To our knowledge, this is the first peer-to-peer data structure that simultaneously achieves high fault tolerance, constant-sized nodes, and fast update and query times for ordered data. It is a non-trivial adaptation of the SkipNet/skip-graph structures of Harvey et al. and Aspnes and Shah, so as to provide fault-tolerance as these structures do, but to do so using constant-sized nodes, as in the family tree structure of Zatloukal and Harvey. It supports successor queries on a set of n items using O(log n) messages with high probability, an improvement over the expected O(log n) messages of the family tree.

Graph Neural Networks (GNNs), especially message-passing neural networks (MPNNs), have emerged as powerful architectures for learning on graphs in diverse applications. However, MPNNs face challenges when modeling non-local interactions in graphs such as large conjugated molecules, and social networks due to oversmoothing and oversquashing. Although Spectral GNNs and traditional neural networks such as recurrent neural networks and transformers mitigate these challenges, they often lack generalizability, or fail to capture detailed structural relationships or symmetries in the data. To address these concerns, we introduce Matrix Function Neural Networks (MFNs), a novel architecture that parameterizes non-local interactions through analytic matrix equivariant functions. Employing resolvent expansions offers a straightforward implementation and the potential for linear scaling with system size. The MFN architecture achieves stateof-the-art performance in standard graph benchmarks, such as the ZINC and TU datasets, and is able to capture intricate non-local interactions in quantum systems, paving the way to new state-of-the-art force fields.

We study the set of networks, which consist of sources, sinks and neutral points, bijective to the permutations. The set of directed edges, which characterizes a network, is constructed from a polyomino or a Rothe diagram of a permutation through a Dyck tiling on a ribbon. We introduce a new combinatorial object similar to a tree-like tableau, which we call a forest. A forest is shown to give a permutation, and be bijective to a network corresponding to the inverse of the permutation. We show that the poset of networks is a finite graded lattice and admits an EL-labeling. By use of this EL-labeling, we show the lattice is supersolvable and compute the M\"obius function of an interval of the poset.

The current work addresses quantum machine learning in the context of Quantum Artificial Neural Networks such that the networks' processing is divided in two stages: the learning stage, where the network converges to a specific quantum circuit, and the backpropagation stage where the network effectively works as a self-programing quantum computing system that selects the quantum circuits to solve computing problems. The results are extended to general architectures including recurrent networks that interact with an environment, coupling with it in the neural links' activation order, and self-organizing in a dynamical regime that intermixes patterns of dynamical stochasticity and persistent quasiperiodic dynamics, making emerge a form of noise resilient dynamical record.

We attempt to reveal the geometry, emerged from the entanglement structure of any general N-party pure quantum many-body state by representing entanglement entropies corresponding to all 2^N bipartitions of the state by means of a generalized adjacency matrix. We show this representation is often exact and may lead to a geometry very different than suggested by the Hamiltonian. Moreover, in all the cases, it yields a natural entanglement contour, similar to previous proposals. The formalism is extended for conformal invariant systems, and a more insightful interpretation of entanglement is presented as a flow among different parts of the system.

Attention mechanisms are critical to the success of large language models (LLMs), driving significant advancements in multiple fields. However, for graph-structured data, which requires emphasis on topological connections, they fall short compared to message-passing mechanisms on fixed links, such as those employed by Graph Neural Networks (GNNs). This raises a question: ``Does attention fail for graphs in natural language settings?'' Motivated by these observations, we embarked on an empirical study from the perspective of attention mechanisms to explore how LLMs process graph-structured data. The goal is to gain deeper insights into the attention behavior of LLMs over graph structures. We uncovered unique phenomena regarding how LLMs apply attention to graph-structured data and analyzed these findings to improve the modeling of such data by LLMs. The primary findings of our research are: 1) While LLMs can recognize graph data and capture text-node interactions, they struggle to model inter-node relationships within graph structures due to inherent architectural constraints. 2) The attention distribution of LLMs across graph nodes does not align with ideal structural patterns, indicating a failure to adapt to graph topology nuances. 3) Neither fully connected attention nor fixed connectivity is optimal; each has specific limitations in its application scenarios. Instead, intermediate-state attention windows improve LLM training performance and seamlessly transition to fully connected windows during inference. Source code: https://github.com/millioniron/LLM_exploration{LLM4Exploration}

Heterophilic Graph Neural Networks (HGNNs) have shown promising results for semi-supervised learning tasks on graphs. Notably, most real-world heterophilic graphs are composed of a mixture of nodes with different neighbor patterns, exhibiting local node-level homophilic and heterophilic structures. However, existing works are only devoted to designing better HGNN backbones or architectures for node classification tasks on heterophilic and homophilic graph benchmarks simultaneously, and their analyses of HGNN performance with respect to nodes are only based on the determined data distribution without exploring the effect caused by this structural difference between training and testing nodes. How to learn invariant node representations on heterophilic graphs to handle this structure difference or distribution shifts remains unexplored. In this paper, we first discuss the limitations of previous graph-based invariant learning methods from the perspective of data augmentation. Then, we propose HEI, a framework capable of generating invariant node representations through incorporating heterophily information to infer latent environments without augmentation, which are then used for invariant prediction, under heterophilic graph structure distribution shifts. We theoretically show that our proposed method can achieve guaranteed performance under heterophilic graph structure distribution shifts. Extensive experiments on various benchmarks and backbones can also demonstrate the effectiveness of our method compared with existing state-of-the-art baselines.

In this paper we show how tensor networks help in developing explainability of machine learning algorithms. Specifically, we develop an unsupervised clustering algorithm based on Matrix Product States (MPS) and apply it in the context of a real use-case of adversary-generated threat intelligence. Our investigation proves that MPS rival traditional deep learning models such as autoencoders and GANs in terms of performance, while providing much richer model interpretability. Our approach naturally facilitates the extraction of feature-wise probabilities, Von Neumann Entropy, and mutual information, offering a compelling narrative for classification of anomalies and fostering an unprecedented level of transparency and interpretability, something fundamental to understand the rationale behind artificial intelligence decisions.

In theoretical neuroscience, recent work leverages deep learning tools to explore how some network attributes critically influence its learning dynamics. Notably, initial weight distributions with small (resp. large) variance may yield a rich (resp. lazy) regime, where significant (resp. minor) changes to network states and representation are observed over the course of learning. However, in biology, neural circuit connectivity could exhibit a low-rank structure and therefore differs markedly from the random initializations generally used for these studies. As such, here we investigate how the structure of the initial weights -- in particular their effective rank -- influences the network learning regime. Through both empirical and theoretical analyses, we discover that high-rank initializations typically yield smaller network changes indicative of lazier learning, a finding we also confirm with experimentally-driven initial connectivity in recurrent neural networks. Conversely, low-rank initialization biases learning towards richer learning. Importantly, however, as an exception to this rule, we find lazier learning can still occur with a low-rank initialization that aligns with task and data statistics. Our research highlights the pivotal role of initial weight structures in shaping learning regimes, with implications for metabolic costs of plasticity and risks of catastrophic forgetting.

We argue and demonstrate that projected entangled-pair states (PEPS) outperform matrix product states significantly for the task of generative modeling of datasets with an intrinsic two-dimensional structure such as images. Our approach builds on a recently introduced algorithm for sampling PEPS, which allows for the efficient optimization and sampling of the distributions.

While LLMs are powerful embedding backbones, their application in training-free settings faces two structural challenges: causal attention restricts early tokens from accessing subsequent context, and the next-token prediction objective biases representations toward generation rather than semantic compression. To address these limitations, we propose KV-Embedding, a framework that activates the latent representation power of frozen LLMs. Our method leverages the observation that the key-value (KV) states of the final token at each layer encode a compressed view of the sequence. By re-routing these states as a prepended prefix, we enable all tokens to access sequence-level context within a single forward pass. To ensure model-agnostic applicability, we introduce an automated layer selection strategy based on intrinsic dimensionality. Evaluations on MTEB across Qwen, Mistral, and Llama backbones show that KV-Embedding outperforms existing training-free baselines by up to 10%, while maintaining robust performance on sequences up to 4,096 tokens. These results demonstrate that internal state manipulation offers an efficient alternative to input modification, and we hope this work encourages further exploration of LLM internals for representation learning.

Recent studies have drawn attention to the untapped potential of the "star operation" (element-wise multiplication) in network design. While intuitive explanations abound, the foundational rationale behind its application remains largely unexplored. Our study attempts to reveal the star operation's ability to map inputs into high-dimensional, non-linear feature spaces -- akin to kernel tricks -- without widening the network. We further introduce StarNet, a simple yet powerful prototype, demonstrating impressive performance and low latency under compact network structure and efficient budget. Like stars in the sky, the star operation appears unremarkable but holds a vast universe of potential. Our work encourages further exploration across tasks, with codes available at https://github.com/ma-xu/Rewrite-the-Stars.

Graph Neural Networks (GNNs) are popular models for graph learning problems. GNNs show strong empirical performance in many practical tasks. However, the theoretical properties have not been completely elucidated. In this paper, we investigate whether GNNs can exploit the graph structure from the perspective of the expressive power of GNNs. In our analysis, we consider graph generation processes that are controlled by hidden (or latent) node features, which contain all information about the graph structure. A typical example of this framework is kNN graphs constructed from the hidden features. In our main results, we show that GNNs can recover the hidden node features from the input graph alone, even when all node features, including the hidden features themselves and any indirect hints, are unavailable. GNNs can further use the recovered node features for downstream tasks. These results show that GNNs can fully exploit the graph structure by themselves, and in effect, GNNs can use both the hidden and explicit node features for downstream tasks. In the experiments, we confirm the validity of our results by showing that GNNs can accurately recover the hidden features using a GNN architecture built based on our theoretical analysis.

In order to bring quantum networks into the real world, we would like to determine the requirements of quantum network protocols including the underlying quantum hardware. Because detailed architecture proposals are generally too complex for mathematical analysis, it is natural to employ numerical simulation. Here we introduce NetSquid, the NETwork Simulator for QUantum Information using Discrete events, a discrete-event based platform for simulating all aspects of quantum networks and modular quantum computing systems, ranging from the physical layer and its control plane up to the application level. We study several use cases to showcase NetSquid's power, including detailed physical layer simulations of repeater chains based on nitrogen vacancy centres in diamond as well as atomic ensembles. We also study the control plane of a quantum switch beyond its analytically known regime, and showcase NetSquid's ability to investigate large networks by simulating entanglement distribution over a chain of up to one thousand nodes.

Mainstream LLM serving systems reuse prefix work mainly through paged or radix key-value (KV) caches. This is highly effective for high-throughput, high-concurrency serving, but it manages only one positional fragment of execution state: the KV cache. We study the opposite regime: low-latency, small-batch, on-device physical-AI serving, where interactive LLM agents, speech systems, and robot policies repeatedly branch, reset, interrupt, and re-enter under tight responsiveness budgets. We introduce execution-state capsules, a graph-bound checkpoint and restore mechanism for the complete restorable state at a committed boundary. FlashRT is a white-box, backend-facing kernel runtime whose evaluated NVIDIA CUDA backend runs captured graph plans over contiguous static buffers with no block-table indirection. Because the live state is a closed set of named buffers, a capsule can snapshot, restore, fork, or roll back the whole execution boundary, including KV, recurrent state, convolution state, MTP state, and metadata. This moves reuse from token-addressed KV fragments to graph-bound execution-state boundaries. On an RTX 5090, capsule restore is byte-exact at the stored-state level and token-identical under greedy decode. A KV-only ablation diverges, showing that recurrent state is load-bearing. GPU-resident snapshot and restore are sub-millisecond, and TTFT speedup over cold prefill grows from 3.9x at 2k tokens to 27x at 16k tokens. On Jetson AGX Thor and DGX Spark, the same correctness and structural properties hold. Capsules are not a replacement for high-throughput KV-cache serving; they define a complementary latency-first serving point for explicit execution-state reuse.

We introduce Hyperdimensional Graph Learner (HDGL), a novel method for node classification and link prediction in graphs. HDGL maps node features into a very high-dimensional space (hyperdimensional or HD space for short) using the injectivity property of node representations in a family of Graph Neural Networks (GNNs) and then uses HD operators such as bundling and binding to aggregate information from the local neighborhood of each node yielding latent node representations that can support both node classification and link prediction tasks. HDGL, unlike GNNs that rely on computationally expensive iterative optimization and hyperparameter tuning, requires only a single pass through the data set. We report results of experiments using widely used benchmark datasets which demonstrate that, on the node classification task, HDGL achieves accuracy that is competitive with that of the state-of-the-art GNN methods at substantially reduced computational cost; and on the link prediction task, HDGL matches the performance of DeepWalk and related methods, although it falls short of computationally demanding state-of-the-art GNNs.

Transformer-based models generate hidden states that are difficult to interpret. In this work, we analyze hidden states and modify them at inference, with a focus on motion forecasting. We use linear probing to analyze whether interpretable features are embedded in hidden states. Our experiments reveal high probing accuracy, indicating latent space regularities with functionally important directions. Building on this, we use the directions between hidden states with opposing features to fit control vectors. At inference, we add our control vectors to hidden states and evaluate their impact on predictions. Remarkably, such modifications preserve the feasibility of predictions. We further refine our control vectors using sparse autoencoders (SAEs). This leads to more linear changes in predictions when scaling control vectors. Our approach enables mechanistic interpretation as well as zero-shot generalization to unseen dataset characteristics with negligible computational overhead.

Large language models (LLMs) can be adapted to new tasks using parameter-efficient fine-tuning (PEFT) methods that modify only a small number of trainable parameters, often through low-rank updates. In this work, we adopt a quantum-information-inspired perspective to understand their effectiveness. From this perspective, low-rank parameterizations naturally correspond to low-dimensional Matrix Product States (MPS) representations, which enable entanglement-based characterizations of parameter structure. Thereby, we term and measure "Artificial Entanglement", defined as the entanglement entropy of the parameters in artificial neural networks (in particular the LLMs). We first study the representative low-rank adaptation (LoRA) PEFT method, alongside full fine-tuning (FFT), using LLaMA models at the 1B and 8B scales trained on the Tulu3 and OpenThoughts3 datasets, and uncover: (i) Internal artificial entanglement in the updates of query and value projection matrices in LoRA follows a volume law with a central suppression (termed as the "Entanglement Valley"), which is sensitive to hyper-parameters and is distinct from that in FFT; (ii) External artificial entanglement in attention matrices, corresponding to token-token correlations in representation space, follows an area law with logarithmic corrections and remains robust to LoRA hyper-parameters and training steps. Drawing a parallel to the No-Hair Theorem in black hole physics, we propose that although LoRA and FFT induce distinct internal entanglement signatures, such differences do not manifest in the attention outputs, suggesting a "no-hair" property that results in the effectiveness of low rank updates. We further provide theoretical support based on random matrix theory, and extend our analysis to an MPS Adaptation PEFT method, which exhibits qualitatively similar behaviors.

Foundation models like ChatGPT and GPT-4 have revolutionized artificial intelligence, exhibiting remarkable abilities to generalize across a wide array of tasks and applications beyond their initial training objectives. However, graph learning has predominantly focused on single-graph models, tailored to specific tasks or datasets, lacking the ability to transfer learned knowledge to different domains. This limitation stems from the inherent complexity and diversity of graph structures, along with the different feature and label spaces specific to graph data. In this paper, we recognize text as an effective unifying medium and employ Text-Attributed Graphs (TAGs) to leverage this potential. We present our UniGraph framework, designed to learn a foundation model for TAGs, which is capable of generalizing to unseen graphs and tasks across diverse domains. Unlike single-graph models that use pre-computed node features of varying dimensions as input, our approach leverages textual features for unifying node representations, even for graphs such as molecular graphs that do not naturally have textual features. We propose a novel cascaded architecture of Language Models (LMs) and Graph Neural Networks (GNNs) as backbone networks. Additionally, we propose the first pre-training algorithm specifically designed for large-scale self-supervised learning on TAGs, based on Masked Graph Modeling. We introduce graph instruction tuning using Large Language Models (LLMs) to enable zero-shot prediction ability. Our comprehensive experiments across various graph learning tasks and domains demonstrate the model's effectiveness in self-supervised representation learning on unseen graphs, few-shot in-context transfer, and zero-shot transfer, even surpassing or matching the performance of GNNs that have undergone supervised training on target datasets.

State Space Models (SSMs) have recently emerged as efficient alternatives to Transformer-Based Models (TBMs) for long-sequence processing, offering linear scaling and lower memory use. Yet, how contextual information flows across layers and tokens in these architectures remains understudied. We present the first unified, token- and layer-level analysis of representation propagation in SSMs and TBMs. Using centered kernel alignment, stability metrics, and probing, we characterize how representations evolve within and across layers. We find a key divergence: TBMs rapidly homogenize token representations, with diversity reemerging only in later layers, while SSMs preserve token uniqueness early but converge to homogenization deeper. Theoretical analysis and parameter randomization further reveal that oversmoothing in TBMs stems from architectural design, whereas in SSMs it arises mainly from training dynamics. These insights clarify the inductive biases of both architectures and inform future model and training designs for long-context reasoning.

Agentic systems enhance their capabilities by invoking external tools and maintaining persistent memory. However, these external dependencies introduce novel attack surfaces. Recent tool and memory poisoning attacks show that maliciously crafted tool descriptors and poisoned memory can covertly bias agent behavior. These threats reflect a deeper issue: the lack of verifiable continuity in the agent's contextual state for planning and execution. We present ElephantAgent, a protocol that enforces Contextual State Continuity to defend against contextual state poisoning. Inspired by prior state-continuity mechanisms (e.g., Nimble), ElephantAgent extends this protection to the evolving contextual state of agentic systems. We define the contextual state as the bounded, security-critical subset of the agent's entire context (e.g., tool state and memory). Before processing each query, ElephantAgent recomputes the digest of the local contextual state and verifies it against the latest authorized digest. Using replicated trusted hardware, ElephantAgent maintains a linearizable ledger of authorized contextual state transitions and detects out-of-band state tampering. To handle in-band semantic abuse, ElephantAgent additionally provides Historical Traceability, enabling conditional post-hoc audit and recovery to a known-good prior state.

Proximity preserving and structural role-based node embeddings have become a prime workhorse of applied graph mining. Novel node embedding techniques are often tested on a restricted set of benchmark datasets. In this paper, we propose a new diverse social network dataset called Twitch Gamers with multiple potential target attributes. Our analysis of the social network and node classification experiments illustrate that Twitch Gamers is suitable for assessing the predictive performance of novel proximity preserving and structural role-based node embedding algorithms.

Classical state estimation algorithms rely on predefined target's state-space model, which complicates model derivation and limits adaptability when system dynamics change. Neural network based estimators offer a data-driven alternative, but rarely fuse classical estimation theory into their structure and demand large, pre-computed training sets. To overcome these limitations, we propose a unified state-space structure without target's state-space model and treats both the input-layer activations and all network weights as latent states to be estimated online. We instantiate this nonlinear model with three canonical estimators-the extended Kalman estimator, the unscented Kalman estimator, and the particle estimator to simulate different neural network and demonstrate its generality. We then benchmark our approach against seven leading neural network estimators across three representative scenarios. Results show that our neural network state-space estimators not only retain the robust learning capability, but also match or exceed the accuracy of both classical and pre-trained neural network methods. Code, data, and more result: github.com/ShineMinxing/PaperNNSSE.git

Generating new molecules is fundamental to advancing critical applications such as drug discovery and material synthesis. Flows can generate molecules effectively by inverting the encoding process, however, existing flow models either require artifactual dequantization or specific node/edge orderings, lack desiderata such as permutation invariance, or induce discrepancy between the encoding and the decoding steps that necessitates post hoc validity correction. We circumvent these issues with novel continuous normalizing E(3)-equivariant flows, based on a system of node ODEs coupled as a graph PDE, that repeatedly reconcile locally toward globally aligned densities. Our models can be cast as message-passing temporal networks, and result in superlative performance on the tasks of density estimation and molecular generation. In particular, our generated samples achieve state-of-the-art on both the standard QM9 and ZINC250K benchmarks.

This paper discusses the experiences gained from designing, deploying, and maintaining low-power Wireless Sensor Networks (WSN) in three geothermally active remote locations in Iceland. The network was deployed for environmental monitoring and real-time data collection to assist in investigating the impact of global warming on the (sub)Arctic climate and the resulting carbon release from the region. Functional networks with more than 50 sensor nodes from three sites with extreme weather conditions and hard-to-access terrain have been collecting data since 2021. The networks employ primary cell-powered wireless sensor nodes equipped with DASH7 Alliance Protocol (D7A) for low-power data transmission and solar-powered D7A-cellular gateways for the backend connection. The WSNs have so far achieved over three years of uptime with minimal maintenance required throughout this period. We present a detailed discussion of different network components, their architecture, and the networks' overall performance and reliability.

Active inference is a first principles approach for understanding the brain in particular, and sentient agents in general, with the single imperative of minimizing free energy. As such, it provides a computational account for modelling artificial intelligent agents, by defining the agent's generative model and inferring the model parameters, actions and hidden state beliefs. However, the exact specification of the generative model and the hidden state space structure is left to the experimenter, whose design choices influence the resulting behaviour of the agent. Recently, deep learning methods have been proposed to learn a hidden state space structure purely from data, alleviating the experimenter from this tedious design task, but resulting in an entangled, non-interpreteable state space. In this paper, we hypothesize that such a learnt, entangled state space does not necessarily yield the best model in terms of free energy, and that enforcing different factors in the state space can yield a lower model complexity. In particular, we consider the problem of 3D object representation, and focus on different instances of the ShapeNet dataset. We propose a model that factorizes object shape, pose and category, while still learning a representation for each factor using a deep neural network. We show that models, with best disentanglement properties, perform best when adopted by an active agent in reaching preferred observations.

State-based sequence models like RWKV-7 offer a compelling alternative to Transformer architectures, achieving linear complexity while demonstrating greater expressive power in short-context scenarios and enabling state tracking beyond the \(TC^0\) complexity class. However, RWKV-7 lacks mechanisms for token-parameter interactions and native scalability, limiting its adaptability and growth without retraining. In this paper, we propose Meta-State, a novel extension to RWKV-7 that replaces attention mechanisms with a fully state-driven approach, integrating token-parameter interactions through a Self-State Encoder (SSE) mechanism. The SSE repurposes a portion of the RWKV-7 Weighted Key-Value (WKV) state as transformation weights to encode token-parameter interactions in a linear, state-driven manner without introducing new trainable matrices or softmax operations, while preserving the autoregressive property of token processing. Meta-State supports progressive model scaling by expanding the WKV state and parameter tokens, reusing existing parameters without retraining. Our approach bridges the gap between state-based modeling, token-parameter interactions, and scalable architectures, offering a flexible framework for efficient and adaptable sequence modeling with linear complexity and constant memory usage.

Model editing techniques modify a minor proportion of knowledge in Large Language Models (LLMs) at a relatively low cost, which have demonstrated notable success. Existing methods assume Transformer Layer (TL) hidden states are values of key-value memories of the Feed-Forward Network (FFN). They usually optimize the TL hidden states to memorize target knowledge and use it to update the weights of the FFN in LLMs. However, the information flow of TL hidden states comes from three parts: Multi-Head Self-Attention (MHSA), FFN, and residual connections. Existing methods neglect the fact that the TL hidden states contains information not specifically required for FFN. Consequently, the performance of model editing decreases. To achieve more precise model editing, we analyze hidden states of MHSA and FFN, finding that MHSA encodes certain general knowledge extraction patterns. This implies that MHSA weights do not require updating when new knowledge is introduced. Based on above findings, we introduce PMET, which simultaneously optimizes Transformer Component (TC, namely MHSA and FFN) hidden states, while only using the optimized TC hidden states of FFN to precisely update FFN weights. Our experiments demonstrate that PMET exhibits state-of-the-art performance on both the COUNTERFACT and zsRE datasets. Our ablation experiments substantiate the effectiveness of our enhancements, further reinforcing the finding that the MHSA encodes certain general knowledge extraction patterns and indicating its storage of a small amount of factual knowledge. Our code is available at https://github.com/xpq-tech/PMET.

We introduce a self-supervised approach for learning node and graph level representations by contrasting structural views of graphs. We show that unlike visual representation learning, increasing the number of views to more than two or contrasting multi-scale encodings do not improve performance, and the best performance is achieved by contrasting encodings from first-order neighbors and a graph diffusion. We achieve new state-of-the-art results in self-supervised learning on 8 out of 8 node and graph classification benchmarks under the linear evaluation protocol. For example, on Cora (node) and Reddit-Binary (graph) classification benchmarks, we achieve 86.8% and 84.5% accuracy, which are 5.5% and 2.4% relative improvements over previous state-of-the-art. When compared to supervised baselines, our approach outperforms them in 4 out of 8 benchmarks. Source code is released at: https://github.com/kavehhassani/mvgrl

Spiking Neural Networks (SNN) are a class of bio-inspired neural networks that promise to bring low-power and low-latency inference to edge devices through asynchronous and sparse processing. However, being temporal models, SNNs depend heavily on expressive states to generate predictions on par with classical artificial neural networks (ANNs). These states converge only after long transient periods, and quickly decay without input data, leading to higher latency, power consumption, and lower accuracy. This work addresses this issue by initializing the state with an auxiliary ANN running at a low rate. The SNN then uses the state to generate predictions with high temporal resolution until the next initialization phase. Our hybrid ANN-SNN model thus combines the best of both worlds: It does not suffer from long state transients and state decay thanks to the ANN, and can generate predictions with high temporal resolution, low latency, and low power thanks to the SNN. We show for the task of event-based 2D and 3D human pose estimation that our method consumes 88% less power with only a 4% decrease in performance compared to its fully ANN counterparts when run at the same inference rate. Moreover, when compared to SNNs, our method achieves a 74% lower error. This research thus provides a new understanding of how ANNs and SNNs can be used to maximize their respective benefits.

State space models (SSM) have recently been shown to be very effective as a deep learning layer as a promising alternative to sequence models such as RNNs, CNNs, or Transformers. The first version to show this potential was the S4 model, which is particularly effective on tasks involving long-range dependencies by using a prescribed state matrix called the HiPPO matrix. While this has an interpretable mathematical mechanism for modeling long dependencies, it introduces a custom representation and algorithm that can be difficult to implement. On the other hand, a recent variant of S4 called DSS showed that restricting the state matrix to be fully diagonal can still preserve the performance of the original model when using a specific initialization based on approximating S4's matrix. This work seeks to systematically understand how to parameterize and initialize such diagonal state space models. While it follows from classical results that almost all SSMs have an equivalent diagonal form, we show that the initialization is critical for performance. We explain why DSS works mathematically, by showing that the diagonal restriction of S4's matrix surprisingly recovers the same kernel in the limit of infinite state dimension. We also systematically describe various design choices in parameterizing and computing diagonal SSMs, and perform a controlled empirical study ablating the effects of these choices. Our final model S4D is a simple diagonal version of S4 whose kernel computation requires just 2 lines of code and performs comparably to S4 in almost all settings, with state-of-the-art results for image, audio, and medical time-series domains, and averaging 85\% on the Long Range Arena benchmark.

The use of machine learning algorithms to investigate phase transitions in physical systems is a valuable way to better understand the characteristics of these systems. Neural networks have been used to extract information of phases and phase transitions directly from many-body configurations. However, one limitation of neural networks is that they require the definition of the model architecture and parameters previous to their application, and such determination is itself a difficult problem. In this paper, we investigate for the first time the relationship between the accuracy of neural networks for information of phases and the network configuration (that comprises the architecture and hyperparameters). We formulate the phase analysis as a regression task, address the question of generating data that reflects the different states of the physical system, and evaluate the performance of neural architecture search for this task. After obtaining the optimized architectures, we further implement smart data processing and analytics by means of neuron coverage metrics, assessing the capability of these metrics to estimate phase transitions. Our results identify the neuron coverage metric as promising for detecting phase transitions in physical systems.

Structured state-space models (SSMs) such as S4, stemming from the seminal work of Gu et al., are gaining popularity as effective approaches for modeling sequential data. Deep SSMs demonstrate outstanding performance across a diverse set of domains, at a reduced training and inference cost compared to attention-based transformers. Recent developments show that if the linear recurrence powering SSMs allows for multiplicative interactions between inputs and hidden states (e.g. GateLoop, Mamba, GLA), then the resulting architecture can surpass in both in accuracy and efficiency attention-powered foundation models trained on text, at scales of billion parameters. In this paper, we give theoretical grounding to this recent finding using tools from Rough Path Theory: we show that when random linear recurrences are equipped with simple input-controlled transitions (selectivity mechanism), then the hidden state is provably a low-dimensional projection of a powerful mathematical object called the signature of the input -- capturing non-linear interactions between tokens at distinct timescales. Our theory not only motivates the success of modern selective state-space models such as Mamba but also provides a solid framework to understand the expressive power of future SSM variants.

The surface code family is a promising approach to implementing fault-tolerant quantum computations. Universal fault-tolerance requires error-corrected non-Clifford operations, in addition to Clifford gates, and for the former, it is imperative to experimentally demonstrate additional resources known as magic states. Another challenge is to efficiently embed surface codes into quantum hardware with connectivity constraints. This work simultaneously addresses both challenges by employing a qubit-efficient rotated heavy-hexagonal surface code for IBM quantum processors (ibm\_fez) and implementing the magic state injection protocol. Our work reports error thresholds for both logical bit- and phase-flip errors, of approx0.37% and approx0.31%, respectively, which are higher than the threshold values previously reported with traditional embedding. The post-selection-based preparation of logical magic states |H_Lrangle and |T_Lrangle achieve fidelities of 0.8806pm0.0002 and 0.8665pm0.0003, respectively, which are both above the magic state distillation threshold. Additionally, we report the minimum fidelity among injected arbitrary single logical qubit states as 0.8356pm0.0003. Our work demonstrates the potential for realising non-Clifford logical gates by producing high-fidelity logical magic states on IBM quantum devices.

Long-distance communication is one of the main bottlenecks in the development of quantum communication networks. Free-space communication is a way to circumvent exponential fiber loss and to allow longer communication distances. Satellite nodes are the main devices currently studied for free-space communication, but they come with downsides such as high cost and low availability. In this work, we study an alternative to satellites, namely aerial platforms such as high-altitude balloons. We provide a loss model to simulate the channel efficiency of balloon-to-ground, ground-to-balloon, and balloon-to-balloon communication channels, considering a large set of hardware parameters. We perform a parameter exploration to exhibit important trade-offs in these channels, as well as simulations of different quantum key distribution network architectures including balloon nodes. We demonstrate that balloons are a realistic alternative to satellites for free-space communications in national network architectures.

Quantum computers have the potential to revolutionize diverse fields, including quantum chemistry, materials science, and machine learning. However, contemporary quantum computers experience errors that often cause quantum programs run on them to fail. Until quantum computers can reliably execute large quantum programs, stakeholders will need fast and reliable methods for assessing a quantum computer's capability-i.e., the programs it can run and how well it can run them. Previously, off-the-shelf neural network architectures have been used to model quantum computers' capabilities, but with limited success, because these networks fail to learn the complex quantum physics that determines real quantum computers' errors. We address this shortcoming with a new quantum-physics-aware neural network architecture for learning capability models. Our architecture combines aspects of graph neural networks with efficient approximations to the physics of errors in quantum programs. This approach achieves up to sim50% reductions in mean absolute error on both experimental and simulated data, over state-of-the-art models based on convolutional neural networks.