Daily Papers

Information systems generate a large volume of event log data during business operations, much of which consists of low-value and redundant information. When performance predictions are made directly from these logs, the accuracy of the predictions can be compromised. Researchers have explored methods to simplify and compress these data while preserving their valuable components. Most existing approaches focus on reducing the dimensionality of the data by eliminating redundant and irrelevant features. However, there has been limited investigation into the efficiency of execution both before and after event log simplification. In this paper, we present a prediction point selection algorithm designed to avoid the simplification of all points that function similarly. We select sequences or self-loop structures to form a simplifiable segment, and we optimize the deviation between the actual simplifiable value and the original data prediction value to prevent over-simplification. Experiments indicate that the simplified event log retains its predictive performance and, in some cases, enhances its predictive accuracy compared to the original event log.

There will be a paradigm shift in chemical and biological research, to be enabled by autonomous, closed-loop, real-time self-directed decision-making experimentation. Spectrum-to-structure correlation, which is to elucidate molecular structures with spectral information, is the core step in understanding the experimental results and to close the loop. However, current approaches usually divide the task into either database-dependent retrieval and database-independent generation and neglect the inherent complementarity between them. In this study, we proposed Vib2Mol, a general deep learning model designed to flexibly handle diverse spectrum-to-structure tasks according to the available prior knowledge by bridging the retrieval and generation. It achieves state-of-the-art performance, even for the most demanding Raman spectra, over previous models in predicting reaction products and sequencing peptides as well as analyzing experimental spectra and integrating multi-modal spectral data. Vib2Mol enables vibrational spectroscopy a real-time guide for autonomous scientific discovery workflows.

Time series reasoning treats time as a first-class axis and incorporates intermediate evidence directly into the answer. This survey defines the problem and organizes the literature by reasoning topology with three families: direct reasoning in one step, linear chain reasoning with explicit intermediates, and branch-structured reasoning that explores, revises, and aggregates. The topology is crossed with the main objectives of the field, including traditional time series analysis, explanation and understanding, causal inference and decision making, and time series generation, while a compact tag set spans these axes and captures decomposition and verification, ensembling, tool use, knowledge access, multimodality, agent loops, and LLM alignment regimes. Methods and systems are reviewed across domains, showing what each topology enables and where it breaks down in faithfulness or robustness, along with curated datasets, benchmarks, and resources that support study and deployment (https://github.com/blacksnail789521/Time-Series-Reasoning-Survey). Evaluation practices that keep evidence visible and temporally aligned are highlighted, and guidance is distilled on matching topology to uncertainty, grounding with observable artifacts, planning for shift and streaming, and treating cost and latency as design budgets. We emphasize that reasoning structures must balance capacity for grounding and self-correction against computational cost and reproducibility, while future progress will likely depend on benchmarks that tie reasoning quality to utility and on closed-loop testbeds that trade off cost and risk under shift-aware, streaming, and long-horizon settings. Taken together, these directions mark a shift from narrow accuracy toward reliability at scale, enabling systems that not only analyze but also understand, explain, and act on dynamic worlds with traceable evidence and credible outcomes.

Generative recommendation via autoregressive models has unified retrieval and ranking into a single conditional generation framework. However, fine-tuning these models with Reinforcement Learning (RL) often suffers from a fundamental probability-reward mismatch. Conventional likelihood-dominated decoding (e.g., beam search) exhibits a myopic bias toward locally probable prefixes, which causes two critical failures: (1) insufficient exploration, where high-reward items in low-probability branches are prematurely pruned and rarely sampled, and (2) advantage compression, where trajectories sharing high-probability prefixes receive highly correlated rewards with low within-group variance, yielding a weak comparative signal for RL. To address these challenges, we propose V-STAR, a Value-guided Sampling and Tree-structured Advantage Reinforcement framework. V-STAR forms a self-evolving loop via two synergistic components. First, a Value-Guided Efficient Decoding (VED) is developed to identify decisive nodes and selectively deepen high-potential prefixes. This improves exploration efficiency without exhaustive tree search. Second, we propose Sibling-GRPO, which exploits the induced tree topology to compute sibling-relative advantages and concentrates learning signals on decisive branching decisions. Extensive experiments on both offline and online datasets demonstrate that V-STAR outperforms state-of-the-art baselines, delivering superior accuracy and candidate-set diversity under strict latency constraints.

Table recognition (TR) aims to transform table images into semi-structured representations such as HTML or Markdown. As a core component of document parsing, TR has long relied on supervised learning, with recent efforts dominated by fine-tuning vision-language models (VLMs) using labeled data. While VLMs have brought TR to the next level, pushing performance further demands large-scale labeled data that is costly to obtain. Consequently, although proprietary models have continuously pushed the performance boundary, open-source models, often trained with limited resources and, in practice, the only viable option for many due to privacy regulations, still lag far behind. To bridge this gap, we introduce TRivia, a self-supervised fine-tuning method that enables pretrained VLMs to learn TR directly from unlabeled table images in the wild. Built upon Group Relative Policy Optimization, TRivia automatically identifies unlabeled samples that most effectively facilitate learning and eliminates the need for human annotations through a question-answering-based reward mechanism. An attention-guided module generates diverse questions for each table image, and the ability to interpret the recognition results and answer them correctly provides feedback to optimize the TR model. This closed-loop process allows the TR model to autonomously learn to recognize, structure, and reason over tables without labeled data. Leveraging this pipeline, we present TRivia-3B, an open-sourced, compact, and state-of-the-art TR model that surpasses existing systems (e.g., Gemini 2.5 Pro, MinerU2.5) on three popular benchmarks. Model and code are released at: https://github.com/opendatalab/TRivia

Recent advances in multimodal large language models (MLLMs) have shown impressive reasoning capabilities. However, further enhancing existing MLLMs necessitates high-quality vision-language datasets with carefully curated task complexities, which are both costly and challenging to scale. Although recent self-improving models that iteratively refine themselves offer a feasible solution, they still suffer from two core challenges: (i) most existing methods augment visual or textual data separately, resulting in discrepancies in data complexity (e.g., over-simplified diagrams paired with redundant textual descriptions); and (ii) the evolution of data and models is also separated, leading to scenarios where models are exposed to tasks with mismatched difficulty levels. To address these issues, we propose C2-Evo, an automatic, closed-loop self-improving framework that jointly evolves both training data and model capabilities. Specifically, given a base dataset and a base model, C2-Evo enhances them by a cross-modal data evolution loop and a data-model evolution loop. The former loop expands the base dataset by generating complex multimodal problems that combine structured textual sub-problems with iteratively specified geometric diagrams, while the latter loop adaptively selects the generated problems based on the performance of the base model, to conduct supervised fine-tuning and reinforcement learning alternately. Consequently, our method continuously refines its model and training data, and consistently obtains considerable performance gains across multiple mathematical reasoning benchmarks. Our code, models, and datasets will be released.

Reinforcement learning with verifiable rewards improves reasoning in large language models (LLMs), but many methods still rely on large human-labeled datasets. While self-play reduces this dependency, it often lacks explicit planning and strong quality control, limiting stability in long-horizon multi-step reasoning. We present SAGE (Self-evolving Agents for Generalized reasoning Evolution), a closed-loop framework where four agents: Challenger, Planner, Solver, and Critic, co-evolve from a shared LLM backbone using only a small seed set. The Challenger continuously generates increasingly difficult tasks; the Planner converts each task into a structured multi-step plan; and the Solver follows the plan to produce an answer, whose correctness is determined by external verifiers. The Critic scores and filters both generated questions and plans to prevent curriculum drift and maintain training signal quality, enabling stable self-training. Across mathematics and code-generation benchmarks, SAGE delivers consistent gains across model scales, improving the Qwen-2.5-7B model by 8.9% on LiveCodeBench and 10.7% on OlympiadBench.

The advancement of embodied intelligence is accelerating the integration of robots into daily life as human assistants. This evolution requires robots to not only interpret high-level instructions and plan tasks but also perceive and adapt within dynamic environments. Vision-Language Models (VLMs) present a promising solution by combining visual understanding and language reasoning. However, existing VLM-based methods struggle with interactive exploration, accurate perception, and real-time plan adaptation. To address these challenges, we propose ExploreVLM, a novel closed-loop task planning framework powered by Vision-Language Models (VLMs). The framework is built around a step-wise feedback mechanism that enables real-time plan adjustment and supports interactive exploration. At its core is a dual-stage task planner with self-reflection, enhanced by an object-centric spatial relation graph that provides structured, language-grounded scene representations to guide perception and planning. An execution validator supports the closed loop by verifying each action and triggering re-planning. Extensive real-world experiments demonstrate that ExploreVLM significantly outperforms state-of-the-art baselines, particularly in exploration-centric tasks. Ablation studies further validate the critical role of the reflective planner and structured perception in achieving robust and efficient task execution.

Traditional task-oriented dialog systems are unable to evolve from ongoing interactions or adapt to new domains after deployment, that is a critical limitation in real-world dynamic environments. Continual learning approaches depend on episodic retraining with human curated data, failing to achieve autonomy lifelong improvement. While evolutionary computation and LLM driven self improvement offer promising mechanisms for dialog optimization, they lack a unified framework for holistic, iterative strategy refinement. To bridge this gap, we propose DarwinTOD, a lifelong self evolving dialog framework that systematically integrates these two paradigms, enabling continuous strategy optimization from a zero-shot base without task specific fine-tuning. DarwinTOD maintains an Evolvable Strategy Bank and operates through a dual-loop process: online multi-agent dialog execution with peer critique, and offline structured evolutionary operations that refine the strategy bank using accumulated feedback. This closed-loop design enables autonomous continuous improvement without human intervention. Extensive experiments show that DarwinTOD surpasses previous state-of-the-art methods and exhibits continuous performance gains throughout evolution. Our work provides a novel framework for building dialog systems with lifelong self evolution capabilities.

Open-world embodied agents must solve long-horizon tasks where the main bottleneck is not single-step planning quality but how interaction experience is organized and evolved. To this end, we present Steve-Evolving, a non-parametric self-evolving framework that tightly couples fine-grained execution diagnosis with dual-track knowledge distillation in a closed loop. The method follows three phases: Experience Anchoring, Experience Distillation, and Knowledge-Driven Closed-Loop Control. In detail, Experience Anchoring solidifies each subgoal attempt into a structured experience tuple with a fixed schema (pre-state, action, diagnosis-result, and post-state) and organizes it in a three-tier experience space with multi-dimensional indices (e.g., condition signatures, spatial hashing, and semantic tags) plus rolling summarization for efficient and auditable recall. To ensure sufficient information density for attribution, the execution layer provides compositional diagnosis signals beyond binary outcomes, including state-difference summaries, enumerated failure causes, continuous indicators, and stagnation/loop detection. Moreover, successful trajectories of Experience Distillation are generalized into reusable skills with explicit preconditions and verification criteria, while failures are distilled into executable guardrails that capture root causes and forbid risky operations at both subgoal and task granularities. Besides, Knowledge-Driven Closed-Loop Control retrieved skills and guardrails are injected into an LLM planner, and diagnosis-triggered local replanning updates the active constraints online, forming a continual evolution process without any model parameter updates. Experiments on the long-horizon suite of Minecraft MCU demonstrate consistent improvements over static-retrieval baselines.

This thesis is divided into three parts. The first part deals with cylindric plane partitions. The second with lambda-determinants and the third with commutators in semi-circular systems. For more detailed abstract please see inside. Cylindric plane partitions may be thought of as a natural generalization of reverse plane partitions. A generating series for the enumeration of cylindric plane partitions was recently given by Borodin. The first result of section one is a new bijective proof of Borodin's identity which makes use of Fomin's growth diagram framework for generalized RSK correspondences. The second result is a (q,t)-analog of Borodin's identity which extends previous work by Okada in the reverse plane partition case. The third result is an explicit combinatorial interpretation of the Macdonald weight occurring in the (q,t)-analog using the non-intersecting lattice path model for cylindric plane partitions. Alternating sign matrices were discovered by Robbins and Rumsey whilst studying λ-determinants. In the second part of this thesis we prove a multi-parameter generalization of the λ-determinant, generalizing a recent result by di Francesco. Like the original λ-determinant, our formula exhibits the Laurent phenomenon. Semicircular systems were first introduced by Voiculescu as a part of his study of von Neumann algebras. In the third part of this thesis we study certain commutator subalgebras of the semicircular system. We find a projection matrix with an interesting self-similar structure. Making use of our projection formula we given an alternative, elementary proof that the semicircular system is a factor.

We reformulate the problem of supervised learning as learning to learn with two nested loops (i.e. learning problems). The inner loop learns on each individual instance with self-supervision before final prediction. The outer loop learns the self-supervised task used by the inner loop, such that its final prediction improves. Our inner loop turns out to be equivalent to linear attention when the inner-loop learner is only a linear model, and to self-attention when it is a kernel estimator. For practical comparison with linear or self-attention layers, we replace each of them in a transformer with an inner loop, so our outer loop is equivalent to training the architecture. When each inner-loop learner is a neural network, our approach vastly outperforms transformers with linear attention on ImageNet from 224 x 224 raw pixels in both accuracy and FLOPs, while (regular) transformers cannot run.

As synthetic data becomes higher quality and proliferates on the internet, machine learning models are increasingly trained on a mix of human- and machine-generated data. Despite the successful stories of using synthetic data for representation learning, using synthetic data for generative model training creates "self-consuming loops" which may lead to training instability or even collapse, unless certain conditions are met. Our paper aims to stabilize self-consuming generative model training. Our theoretical results demonstrate that by introducing an idealized correction function, which maps a data point to be more likely under the true data distribution, self-consuming loops can be made exponentially more stable. We then propose self-correction functions, which rely on expert knowledge (e.g. the laws of physics programmed in a simulator), and aim to approximate the idealized corrector automatically and at scale. We empirically validate the effectiveness of self-correcting self-consuming loops on the challenging human motion synthesis task, and observe that it successfully avoids model collapse, even when the ratio of synthetic data to real data is as high as 100%.

The emergence of multi-agent systems built from large language models (LLMs) offers a promising paradigm for scalable collective intelligence and self-evolution. Ideally, such systems would achieve continuous self-improvement in a fully closed loop while maintaining robust safety alignment--a combination we term the self-evolution trilemma. However, we demonstrate both theoretically and empirically that an agent society satisfying continuous self-evolution, complete isolation, and safety invariance is impossible. Drawing on an information-theoretic framework, we formalize safety as the divergence degree from anthropic value distributions. We theoretically demonstrate that isolated self-evolution induces statistical blind spots, leading to the irreversible degradation of the system's safety alignment. Empirical and qualitative results from an open-ended agent community (Moltbook) and two closed self-evolving systems reveal phenomena that align with our theoretical prediction of inevitable safety erosion. We further propose several solution directions to alleviate the identified safety concern. Our work establishes a fundamental limit on the self-evolving AI societies and shifts the discourse from symptom-driven safety patches to a principled understanding of intrinsic dynamical risks, highlighting the need for external oversight or novel safety-preserving mechanisms.

Many patterns in nature exhibit self-similarity: they can be compactly described via self-referential transformations. Said patterns commonly appear in natural and artificial objects, such as molecules, shorelines, galaxies and even images. In this work, we investigate the role of learning in the automated discovery of self-similarity and in its utilization for downstream tasks. To this end, we design a novel class of implicit operators, Neural Collages, which (1) represent data as the parameters of a self-referential, structured transformation, and (2) employ hypernetworks to amortize the cost of finding these parameters to a single forward pass. We investigate how to leverage the representations produced by Neural Collages in various tasks, including data compression and generation. Neural Collages image compressors are orders of magnitude faster than other self-similarity-based algorithms during encoding and offer compression rates competitive with implicit methods. Finally, we showcase applications of Neural Collages for fractal art and as deep generative models.

We study the H-chromatic symmetric functions X_G^H (introduced in (arXiv:2011.06063) as a generalization of the chromatic symmetric function (CSF) X_G), which track homomorphisms from the graph G to the graph H. We focus first on the case of self-chromatic symmetric functions (self-CSFs) X_G^G, making some progress toward a conjecture from (arXiv:2011.06063) that the self-CSF, like the normal CSF, is always different for different trees. In particular, we show that the self-CSF distinguishes trees from non-trees with just one exception, we check using Sage that it distinguishes all trees on up to 12 vertices, and we show that it determines the number of legs of a spider and the degree sequence of a caterpillar given its spine length. We also show that the self-CSF detects the number of connected components of a forest, again with just one exception. Then we prove some results about the power sum expansions for H-CSFs when H is a complete bipartite graph, in particular proving that the conjecture from (arXiv:2011.06063) about p-monotonicity of ω(X_G^H) for H a star holds as long as H is sufficiently large compared to G. We also show that the self-CSFs of complete multipartite graphs form a basis for the ring Λ of symmetric functions, and we give some construction of bases for the vector space Λ^n of degree n symmetric functions using H-CSFs X_G^H where H is a fixed graph that is not a complete graph, answering a question from (arXiv:2011.06063) about whether such bases exist. However, we show that there generally do not exist such bases with G fixed, even with loops, answering another question from (arXiv:2011.06063). We also define the H-chromatic polynomial as an analogue of the chromatic polynomial, and ask when it is the same for different graphs.

Strategies for the generation of periodic discrete structures with identical two-point correlation are developed. Starting from a pair of root structures, which are not related by translation, phase inversion or axis reflections, child structures of arbitrary resolution (i.e., pixel or voxel numbers) and number of phases (i.e., material phases/species) can be generated by means of trivial embedding based phase extension, application of kernels and/or phase coalescence, such that the generated structures inherit the two-point-correlation equivalence. Proofs of the inheritance property are provided by means of the Discrete Fourier Transform theory. A Python 3 implementation of the results is offered by the authors through the Github repository https://github.com/DataAnalyticsEngineering/EQ2PC in order to make the provided results reproducible and useful for all interested readers. Examples for the generation of structures are demonstrated, together with applications in the homogenization theory of periodic media.

Optimizing large-scale machine learning systems, such as recommendation models for global video platforms, requires navigating a massive hyperparameter search space and, more critically, designing sophisticated optimizers, architectures, and reward functions to capture nuanced user behaviors. Achieving substantial improvements in these areas is a non-trivial task, traditionally relying on extensive manual iterations to test new hypotheses. We propose a self-evolving system that leverages Large Language Models (LLMs), specifically those from Google's Gemini family, to autonomously generate, train, and deploy high-performing, complex model changes within an end-to-end automated workflow. The self-evolving system is comprised of an Offline Agent (Inner Loop) that performs high-throughput hypothesis generation using proxy metrics, and an Online Agent (Outer Loop) that validates candidates against delayed north star business metrics in live production. Our agents act as specialized Machine Learning Engineers (MLEs): they exhibit deep reasoning capabilities, discovering novel improvements in optimization algorithms and model architecture, and formulating innovative reward functions that target long-term user engagement. The effectiveness of this approach is demonstrated through several successful production launches at YouTube, confirming that autonomous, LLM-driven evolution can surpass traditional engineering workflows in both development velocity and model performance.

The objective is the design of a Cellular Automata rule that can form patterns with 'touching' loops. A loop is defined as a closed path of 1-cells in a 2D grid on a zero background and with a zero border. A path cell is connected with two of its adjacent neighbors. In touching loops a path cell is also allowed to touch another on a diagonal. A CA rule was designed that can evolve stable touching loop patterns. The rule tries to cover the 2D space by overlapping tiles. The rule uses so-called templates, 5 x 5 matching patterns which are systematically derived from the given set of 3 x 3 tiles. The rule checks the pattern being evolved against a list of templates. If the outer neighbors of a template match, then the cell's state is set to the template's center value. Noise is injected if there is no matching template, or the tiles are not properly assembled. Thereby the evolution is driven to the desired loop patterns.

Our aim is to contribute to quantum field theory (QFT) formalisms useful for descriptions of short time phenomena, dominant especially in heavy ion collisions. We formulate out-of-equilibrium QFT within the finite-time-path formalism (FTP) and renormalization theory (RT). The potential conflict of FTP and RT is investigated in g phi^3 QFT, by using the retarded/advanced (R/A) basis of Green functions and dimensional renormalization (DR). For example, vertices immediately after (in time) divergent self-energy loops do not conserve energy, as integrals diverge. We "repair" them, while keeping d<4, to obtain energy conservation at those vertices. Already in the S-matrix theory, the renormalized, finite part of Feynman self-energy Sigma_{F}(p_0) does not vanish when |p_0|rightarrowinfty and cannot be split to retarded and advanced parts. In the Glaser--Epstein approach, the causality is repaired in the composite object G_F(p_0)Sigma_{F}(p_0). In the FTP approach, after repairing the vertices, the corresponding composite objects are G_R(p_0)Sigma_{R}(p_0) and Sigma_{A}(p_0)G_A(p_0). In the limit drightarrow 4, one obtains causal QFT. The tadpole contribution splits into diverging and finite parts. The diverging, constant component is eliminated by the renormalization condition langle 0|phi|0rangle =0 of the S-matrix theory. The finite, oscillating energy-nonconserving tadpole contributions vanish in the limit trightarrow infty .

We introduce a design strategy for neural network macro-architecture based on self-similarity. Repeated application of a simple expansion rule generates deep networks whose structural layouts are precisely truncated fractals. These networks contain interacting subpaths of different lengths, but do not include any pass-through or residual connections; every internal signal is transformed by a filter and nonlinearity before being seen by subsequent layers. In experiments, fractal networks match the excellent performance of standard residual networks on both CIFAR and ImageNet classification tasks, thereby demonstrating that residual representations may not be fundamental to the success of extremely deep convolutional neural networks. Rather, the key may be the ability to transition, during training, from effectively shallow to deep. We note similarities with student-teacher behavior and develop drop-path, a natural extension of dropout, to regularize co-adaptation of subpaths in fractal architectures. Such regularization allows extraction of high-performance fixed-depth subnetworks. Additionally, fractal networks exhibit an anytime property: shallow subnetworks provide a quick answer, while deeper subnetworks, with higher latency, provide a more accurate answer.

Seismic advances in generative AI algorithms for imagery, text, and other data types has led to the temptation to use synthetic data to train next-generation models. Repeating this process creates an autophagous (self-consuming) loop whose properties are poorly understood. We conduct a thorough analytical and empirical analysis using state-of-the-art generative image models of three families of autophagous loops that differ in how fixed or fresh real training data is available through the generations of training and in whether the samples from previous generation models have been biased to trade off data quality versus diversity. Our primary conclusion across all scenarios is that without enough fresh real data in each generation of an autophagous loop, future generative models are doomed to have their quality (precision) or diversity (recall) progressively decrease. We term this condition Model Autophagy Disorder (MAD), making analogy to mad cow disease.

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.

We investigate the construction of latent spaces through self-supervised learning to support semantically meaningful operations. Analogous to operational amplifiers, these "operational latent spaces" (OpLaS) not only demonstrate semantic structure such as clustering but also support common transformational operations with inherent semantic meaning. Some operational latent spaces are found to have arisen "unintentionally" in the progress toward some (other) self-supervised learning objective, in which unintended but still useful properties are discovered among the relationships of points in the space. Other spaces may be constructed "intentionally" by developers stipulating certain kinds of clustering or transformations intended to produce the desired structure. We focus on the intentional creation of operational latent spaces via self-supervised learning, including the introduction of rotation operators via a novel "FiLMR" layer, which can be used to enable ring-like symmetries found in some musical constructions.

We study self-rewarding reasoning large language models (LLMs), which can simultaneously generate step-by-step reasoning and evaluate the correctness of their outputs during the inference time-without external feedback. This integrated approach allows a single model to independently guide its reasoning process, offering computational advantages for model deployment. We particularly focus on the representative task of self-correction, where models autonomously detect errors in their responses, revise outputs, and decide when to terminate iterative refinement loops. To enable this, we propose a two-staged algorithmic framework for constructing self-rewarding reasoning models using only self-generated data. In the first stage, we employ sequential rejection sampling to synthesize long chain-of-thought trajectories that incorporate both self-rewarding and self-correction mechanisms. Fine-tuning models on these curated data allows them to learn the patterns of self-rewarding and self-correction. In the second stage, we further enhance the models' ability to assess response accuracy and refine outputs through reinforcement learning with rule-based signals. Experiments with Llama-3 and Qwen-2.5 demonstrate that our approach surpasses intrinsic self-correction capabilities and achieves performance comparable to systems that rely on external reward models.

In "Backprop as functor", the authors show that the fundamental elements of deep learning -- gradient descent and backpropagation -- can be conceptualized as a strong monoidal functor Para(Euc)toLearn from the category of parameterized Euclidean spaces to that of learners, a category developed explicitly to capture parameter update and backpropagation. It was soon realized that there is an isomorphism LearncongPara(Slens), where Slens is the symmetric monoidal category of simple lenses as used in functional programming. In this note, we observe that Slens is a full subcategory of Poly, the category of polynomial functors in one variable, via the functor Amapsto Ay^A. Using the fact that (Poly,otimes) is monoidal closed, we show that a map Ato B in Para(Slens) has a natural interpretation in terms of dynamical systems (more precisely, generalized Moore machines) whose interface is the internal-hom type [Ay^A,By^B]. Finally, we review the fact that the category p-Coalg of dynamical systems on any p in Poly forms a topos, and consider the logical propositions that can be stated in its internal language. We give gradient descent as an example, and we conclude by discussing some directions for future work.

P. Kabamba developed generation theory as a tool for studying self-reproducing systems. We provide an alternative definition of a generation system and give a complete solution to the problem of finding optimal seeds for a finite self-replicating system. We also exhibit examples illustrating a connection between self-replication and fixed-point theory.

In this paper, we propose a novel network, SVDFormer, to tackle two specific challenges in point cloud completion: understanding faithful global shapes from incomplete point clouds and generating high-accuracy local structures. Current methods either perceive shape patterns using only 3D coordinates or import extra images with well-calibrated intrinsic parameters to guide the geometry estimation of the missing parts. However, these approaches do not always fully leverage the cross-modal self-structures available for accurate and high-quality point cloud completion. To this end, we first design a Self-view Fusion Network that leverages multiple-view depth image information to observe incomplete self-shape and generate a compact global shape. To reveal highly detailed structures, we then introduce a refinement module, called Self-structure Dual-generator, in which we incorporate learned shape priors and geometric self-similarities for producing new points. By perceiving the incompleteness of each point, the dual-path design disentangles refinement strategies conditioned on the structural type of each point. SVDFormer absorbs the wisdom of self-structures, avoiding any additional paired information such as color images with precisely calibrated camera intrinsic parameters. Comprehensive experiments indicate that our method achieves state-of-the-art performance on widely-used benchmarks. Code will be available at https://github.com/czvvd/SVDFormer.

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 present an agentic, autonomous graph expansion framework that iteratively structures and refines knowledge in situ. Unlike conventional knowledge graph construction methods relying on static extraction or single-pass learning, our approach couples a reasoning-native large language model with a continually updated graph representation. At each step, the system actively generates new concepts and relationships, merges them into a global graph, and formulates subsequent prompts based on its evolving structure. Through this feedback-driven loop, the model organizes information into a scale-free network characterized by hub formation, stable modularity, and bridging nodes that link disparate knowledge clusters. Over hundreds of iterations, new nodes and edges continue to appear without saturating, while centrality measures and shortest path distributions evolve to yield increasingly distributed connectivity. Our analysis reveals emergent patterns, such as the rise of highly connected 'hub' concepts and the shifting influence of 'bridge' nodes, indicating that agentic, self-reinforcing graph construction can yield open-ended, coherent knowledge structures. Applied to materials design problems, we present compositional reasoning experiments by extracting node-specific and synergy-level principles to foster genuinely novel knowledge synthesis, yielding cross-domain ideas that transcend rote summarization and strengthen the framework's potential for open-ended scientific discovery. We discuss other applications in scientific discovery and outline future directions for enhancing scalability and interpretability.

This work introduces a general code generation framework that incorporates infilling operations into auto-regressive decoding. Our approach capitalizes on the observation that recent code language models with infilling capabilities can perform self-infilling: whereas infilling operations aim to fill in the middle based on a predefined prefix and suffix, self-infilling sequentially generates both such surrounding context and the infilled content. We utilize this feature to develop an infilling-augmented decoding process that facilitates non-monotonic generation. This approach allows for postponing the generation of uncertain code snippets until a definitive suffix is established, leading to improved control over the generation sequence. In addition, it facilitates a looping mechanism, which can iteratively update and synchronize each piece of generation in a cyclic manner. Extensive experiments are conducted to demonstrate that our proposed decoding process is effective in enhancing regularity and quality across several code generation benchmarks.

Self-evolution methods enhance code generation through iterative "generate-verify-refine" cycles, yet existing approaches suffer from low exploration efficiency, failing to discover solutions with superior complexity within limited budgets. This inefficiency stems from initialization bias trapping evolution in poor solution regions, uncontrolled stochastic operations lacking feedback guidance, and insufficient experience utilization across tasks. To address these bottlenecks, we propose Controlled Self-Evolution (CSE), which consists of three key components. Diversified Planning Initialization generates structurally distinct algorithmic strategies for broad solution space coverage. Genetic Evolution replaces stochastic operations with feedback-guided mechanisms, enabling targeted mutation and compositional crossover. Hierarchical Evolution Memory captures both successful and failed experiences at inter-task and intra-task levels. Experiments on EffiBench-X demonstrate that CSE consistently outperforms all baselines across various LLM backbones. Furthermore, CSE achieves higher efficiency from early generations and maintains continuous improvement throughout evolution. Our code is publicly available at https://github.com/QuantaAlpha/EvoControl.

The weight matrix (WM) of a neural network (NN) is its program. The programs of many traditional NNs are learned through gradient descent in some error function, then remain fixed. The WM of a self-referential NN, however, can keep rapidly modifying all of itself during runtime. In principle, such NNs can meta-learn to learn, and meta-meta-learn to meta-learn to learn, and so on, in the sense of recursive self-improvement. While NN architectures potentially capable of implementing such behaviour have been proposed since the '90s, there have been few if any practical studies. Here we revisit such NNs, building upon recent successes of fast weight programmers and closely related linear Transformers. We propose a scalable self-referential WM (SRWM) that learns to use outer products and the delta update rule to modify itself. We evaluate our SRWM in supervised few-shot learning and in multi-task reinforcement learning with procedurally generated game environments. Our experiments demonstrate both practical applicability and competitive performance of the proposed SRWM. Our code is public.

We propose the Signal Dice Similarity Coefficient (SDSC), a structure-aware metric function for time series self-supervised representation learning. Most Self-Supervised Learning (SSL) methods for signals commonly adopt distance-based objectives such as mean squared error (MSE), which are sensitive to amplitude, invariant to waveform polarity, and unbounded in scale. These properties hinder semantic alignment and reduce interpretability. SDSC addresses this by quantifying structural agreement between temporal signals based on the intersection of signed amplitudes, derived from the Dice Similarity Coefficient (DSC).Although SDSC is defined as a structure-aware metric, it can be used as a loss by subtracting from 1 and applying a differentiable approximation of the Heaviside function for gradient-based optimization. A hybrid loss formulation is also proposed to combine SDSC with MSE, improving stability and preserving amplitude where necessary. Experiments on forecasting and classification benchmarks demonstrate that SDSC-based pre-training achieves comparable or improved performance over MSE, particularly in in-domain and low-resource scenarios. The results suggest that structural fidelity in signal representations enhances the semantic representation quality, supporting the consideration of structure-aware metrics as viable alternatives to conventional distance-based methods.

The fields of Origin of Life and Artificial Life both question what life is and how it emerges from a distinct set of "pre-life" dynamics. One common feature of most substrates where life emerges is a marked shift in dynamics when self-replication appears. While there are some hypotheses regarding how self-replicators arose in nature, we know very little about the general dynamics, computational principles, and necessary conditions for self-replicators to emerge. This is especially true on "computational substrates" where interactions involve logical, mathematical, or programming rules. In this paper we take a step towards understanding how self-replicators arise by studying several computational substrates based on various simple programming languages and machine instruction sets. We show that when random, non self-replicating programs are placed in an environment lacking any explicit fitness landscape, self-replicators tend to arise. We demonstrate how this occurs due to random interactions and self-modification, and can happen with and without background random mutations. We also show how increasingly complex dynamics continue to emerge following the rise of self-replicators. Finally, we show a counterexample of a minimalistic programming language where self-replicators are possible, but so far have not been observed to arise.

Self-predictive unsupervised learning methods such as BYOL or SimSiam have shown impressive results, and counter-intuitively, do not collapse to trivial representations. In this work, we aim at exploring the simplest possible mathematical arguments towards explaining the underlying mechanisms behind self-predictive unsupervised learning. We start with the observation that those methods crucially rely on the presence of a predictor network (and stop-gradient). With simple linear algebra, we show that when using a linear predictor, the optimal predictor is close to an orthogonal projection, and propose a general framework based on orthonormalization that enables to interpret and give intuition on why BYOL works. In addition, this framework demonstrates the crucial role of the exponential moving average and stop-gradient operator in BYOL as an efficient orthonormalization mechanism. We use these insights to propose four new closed-form predictor variants of BYOL to support our analysis. Our closed-form predictors outperform standard linear trainable predictor BYOL at 100 and 300 epochs (top-1 linear accuracy on ImageNet).

This paper reports on patterns exhibiting self-replication with spontaneous, inheritable mutations and exponential genetic drift in Neural Cellular Automata. Despite the models not being explicitly trained for mutation or inheritability, the descendant patterns exponentially drift away from ancestral patterns, even when the automaton is deterministic. While this is far from being the first instance of evolutionary dynamics in a cellular automaton, it is the first to do so by exploiting the power and convenience of Neural Cellular Automata, arguably increasing the space of variations and the opportunity for Open Ended Evolution.

Time series play a fundamental role in many domains, capturing a plethora of information about the underlying data-generating processes. When a process generates multiple synchronized signals we are faced with multidimensional time series. In this context a fundamental problem is that of motif mining, where we seek patterns repeating twice with minor variations, spanning some of the dimensions. State of the art exact solutions for this problem run in time quadratic in the length of the input time series. We provide a scalable method to find the top-k motifs in multidimensional time series with probabilistic guarantees on the quality of the results. Our algorithm runs in time subquadratic in the length of the input, and returns the exact solution with probability at least 1-δ, where δ is a user-defined parameter. The algorithm is designed to be adaptive to the input distribution, self-tuning its parameters while respecting user-defined limits on the memory to use. Our theoretical analysis is complemented by an extensive experimental evaluation, showing that our algorithm is orders of magnitude faster than the state of the art.

Prompting methods such as Chain-of-Thought (CoT) have shed new light on enhancing the reasoning capabilities of large language models, and researchers have extensively explored the generation process of rationales and answers. However, they have overlooked the potential challenges posed by the poor quality of reasoning problems, which may influence the reasoning performance significantly. In this work, we propose Self-Polish (SP), a novel method that facilitates the model's problem-solving process by prompting them to progressively refine the given problems to be more comprehensible and solvable. Specifically, the method teaches models to eliminate irrelevant information, rearrange the logic structure and organize local conditions into new ones parallelly. SP is orthogonal to all other prompting methods, making it convenient to integrate with state-of-the-art techniques for further improvement. We conduct thorough experiments on five benchmarks to illustrate the effectiveness of the proposed method. For example, with Text-davinci-003, our method boosts the performance of standard few-shot prompting by 8.0% on GSM8K and 17.8% on MultiArith; it also improves the performance of CoT by 6.0% on GSM8K and 6.0% on MathQA, respectively. Furthermore, our method also showcases impressive performance on robustness evaluation.

Self-supervised learning excels at learning representations from large amounts of data. At the same time, generative models offer the complementary property of learning information about the underlying data generation process. In this study, we aim at establishing a principled connection between these two paradigms and highlight the benefits of their complementarity. In particular, we perform an analysis of self-supervised learning objectives, elucidating the underlying probabilistic graphical models and presenting a standardized methodology for their derivation from first principles. The analysis suggests a natural means of integrating self-supervised learning with likelihood-based generative models. We instantiate this concept within the realm of cluster-based self-supervised learning and energy models, introducing a lower bound proven to reliably penalize the most important failure modes and unlocking full unification. Our theoretical findings are substantiated through experiments on synthetic and real-world data, including SVHN, CIFAR10, and CIFAR100, demonstrating that our objective function allows to jointly train a backbone network in a discriminative and generative fashion, consequently outperforming existing self-supervised learning strategies in terms of clustering, generation and out-of-distribution detection performance by a wide margin. We also demonstrate that the solution can be integrated into a neuro-symbolic framework to tackle a simple yet non-trivial instantiation of the symbol grounding problem. The code is publicly available at https://github.com/emsansone/GEDI.

Loop invariants are fundamental to reasoning about programs with loops. They establish properties about a given loop's behavior. When they additionally are inductive, they become useful for the task of formal verification that seeks to establish strong mathematical guarantees about program's runtime behavior. The inductiveness ensures that the invariants can be checked locally without consulting the entire program, thus are indispensable artifacts in a formal proof of correctness. Finding inductive loop invariants is an undecidable problem, and despite a long history of research towards practical solutions, it remains far from a solved problem. This paper investigates the capabilities of the Large Language Models (LLMs) in offering a new solution towards this old, yet important problem. To that end, we first curate a dataset of verification problems on programs with loops. Next, we design a prompt for exploiting LLMs, obtaining inductive loop invariants, that are checked for correctness using sound symbolic tools. Finally, we explore the effectiveness of using an efficient combination of a symbolic tool and an LLM on our dataset and compare it against a purely symbolic baseline. Our results demonstrate that LLMs can help improve the state-of-the-art in automated program verification.

Large language models (LLMs) are expected to respond accurately but often exhibit deficient reasoning or generate hallucinatory content. To address these, studies prefixed with ``Self-'' such as Self-Consistency, Self-Improve, and Self-Refine have been initiated. They share a commonality: involving LLMs evaluating and updating itself to mitigate the issues. Nonetheless, these efforts lack a unified perspective on summarization, as existing surveys predominantly focus on categorization without examining the motivations behind these works. In this paper, we summarize a theoretical framework, termed Internal Consistency, which offers unified explanations for phenomena such as the lack of reasoning and the presence of hallucinations. Internal Consistency assesses the coherence among LLMs' latent layer, decoding layer, and response layer based on sampling methodologies. Expanding upon the Internal Consistency framework, we introduce a streamlined yet effective theoretical framework capable of mining Internal Consistency, named Self-Feedback. The Self-Feedback framework consists of two modules: Self-Evaluation and Self-Update. This framework has been employed in numerous studies. We systematically classify these studies by tasks and lines of work; summarize relevant evaluation methods and benchmarks; and delve into the concern, ``Does Self-Feedback Really Work?'' We propose several critical viewpoints, including the ``Hourglass Evolution of Internal Consistency'', ``Consistency Is (Almost) Correctness'' hypothesis, and ``The Paradox of Latent and Explicit Reasoning''. Furthermore, we outline promising directions for future research. We have open-sourced the experimental code, reference list, and statistical data, available at https://github.com/IAAR-Shanghai/ICSFSurvey.

Vector Symbolic Architectures (VSAs) have emerged as a novel framework for enabling interpretable machine learning algorithms equipped with the ability to reason and explain their decision processes. The basic idea is to represent discrete information through high dimensional random vectors. Complex data structures can be built up with operations over vectors such as the "binding" operation involving element-wise vector multiplication, which associates data together. The reverse task of decomposing the associated elements is a combinatorially hard task, with an exponentially large search space. The main algorithm for performing this search is the resonator network, inspired by Hopfield network-based memory search operations. In this work, we introduce a new variant of the resonator network, based on self-attention based update rules in the iterative search problem. This update rule, based on the Hopfield network with log-sum-exp energy function and norm-bounded states, is shown to substantially improve the performance and rate of convergence. As a result, our algorithm enables a larger capacity for associative memory, enabling applications in many tasks like perception based pattern recognition, scene decomposition, and object reasoning. We substantiate our algorithm with a thorough evaluation and comparisons to baselines.

As high-quality data becomes increasingly difficult to obtain, data-free self-evolution has emerged as a promising paradigm. This approach allows large language models (LLMs) to autonomously generate and solve complex problems, thereby improving their reasoning capabilities. However, multi-turn search agents struggle in data-free self-evolution due to the limited question diversity and the substantial compute required for multi-step reasoning and tool using. In this work, we introduce Dr. Zero, a framework enabling search agents to effectively self-evolve without any training data. In particular, we design a self-evolution feedback loop where a proposer generates diverse questions to train a solver initialized from the same base model. As the solver evolves, it incentivizes the proposer to produce increasingly difficult yet solvable tasks, thus establishing an automated curriculum to refine both agents. To enhance training efficiency, we also introduce hop-grouped relative policy optimization (HRPO). This method clusters structurally similar questions to construct group-level baselines, effectively minimizing the sampling overhead in evaluating each query's individual difficulty and solvability. Consequently, HRPO significantly reduces the compute requirements for solver training without compromising performance or stability. Extensive experiment results demonstrate that the data-free Dr. Zero matches or surpasses fully supervised search agents, proving that complex reasoning and search capabilities can emerge solely through self-evolution.

Large Language Models (LLMs) have showcased remarkable versatility across diverse domains. However, the pathway toward autonomous model development, a cornerstone for achieving human-level learning and advancing autonomous AI, remains largely uncharted. We introduce an innovative approach, termed "SELF" (Self-Evolution with Language Feedback). This methodology empowers LLMs to undergo continual self-evolution. Furthermore, SELF employs language-based feedback as a versatile and comprehensive evaluative tool, pinpointing areas for response refinement and bolstering the stability of self-evolutionary training. Initiating with meta-skill learning, SELF acquires foundational meta-skills with a focus on self-feedback and self-refinement. These meta-skills are critical, guiding the model's subsequent self-evolution through a cycle of perpetual training with self-curated data, thereby enhancing its intrinsic abilities. Given unlabeled instructions, SELF equips the model with the capability to autonomously generate and interactively refine responses. This synthesized training data is subsequently filtered and utilized for iterative fine-tuning, enhancing the model's capabilities. Experimental results on representative benchmarks substantiate that SELF can progressively advance its inherent abilities without the requirement of human intervention, thereby indicating a viable pathway for autonomous model evolution. Additionally, SELF can employ online self-refinement strategy to produce responses of superior quality. In essence, the SELF framework signifies a progressive step towards autonomous LLM development, transforming the LLM from a mere passive recipient of information into an active participant in its own evolution.

Despite the success of test-time scaling, Large Reasoning Models (LRMs) frequently encounter repetitive loops that lead to computational waste and inference failure. In this paper, we identify a distinct failure mode termed Circular Reasoning. Unlike traditional model degeneration, this phenomenon manifests as a self-reinforcing trap where generated content acts as a logical premise for its own recurrence, compelling the reiteration of preceding text. To systematically analyze this phenomenon, we introduce LoopBench, a dataset designed to capture two distinct loop typologies: numerical loops and statement loops. Mechanistically, we characterize circular reasoning as a state collapse exhibiting distinct boundaries, where semantic repetition precedes textual repetition. We reveal that reasoning impasses trigger the loop onset, which subsequently persists as an inescapable cycle driven by a self-reinforcing V-shaped attention mechanism. Guided by these findings, we employ the Cumulative Sum (CUSUM) algorithm to capture these precursors for early loop prediction. Experiments across diverse LRMs validate its accuracy and elucidate the stability of long-chain reasoning.

We consider funnel control for linear infinite-dimensional systems that are impedance passive, meaning that they satisfy an energy balance in which the stored energy equals the squared norm of the state and the supplied power is the inner product of input and output. For the analysis we employ the system node approach, which offers a unified framework for infinite-dimensional systems with boundary and distributed control and observation. The resulting closed-loop dynamics are governed by a nonlinear evolution equation; we establish its solvability and hence the applicability of funnel control to this class. The applicability is illustrated by an Euler-Bernoulli beam, which is studied in two distinct scenarios: once with boundary control and once with distributed control.

Bayesian models of cognition have gained considerable traction in computational neuroscience and psychiatry. Their scopes are now expected to expand rapidly to artificial intelligence, providing general inference frameworks to support embodied, adaptable, and energy-efficient autonomous agents. A central theory in this domain is predictive coding, which posits that learning and behaviour are driven by hierarchical probabilistic inferences about the causes of sensory inputs. Biological realism constrains these networks to rely on simple local computations in the form of precision-weighted predictions and prediction errors. This can make this framework highly efficient, but its implementation comes with unique challenges on the software development side. Embedding such models in standard neural network libraries often becomes limiting, as these libraries' compilation and differentiation backends can force a conceptual separation between optimization algorithms and the systems being optimized. This critically departs from other biological principles such as self-monitoring, self-organisation, cellular growth and functional plasticity. In this paper, we introduce pyhgf: a Python package backed by JAX and Rust for creating, manipulating and sampling dynamic networks for predictive coding. We improve over other frameworks by enclosing the network components as transparent, modular and malleable variables in the message-passing steps. The resulting graphs can implement arbitrary computational complexities as beliefs propagation. But the transparency of core variables can also translate into inference processes that leverage self-organisation principles, and express structure learning, meta-learning or causal discovery as the consequence of network structural adaptation to surprising inputs. The code, tutorials and documentation are hosted at: https://github.com/ilabcode/pyhgf.

We prove rich algebraic structures of the solution space for 2-layer neural networks with quadratic activation and L_2 loss, trained on reasoning tasks in Abelian group (e.g., modular addition). Such a rich structure enables analytical construction of global optimal solutions from partial solutions that only satisfy part of the loss, despite its high nonlinearity. We coin the framework as CoGO (Composing Global Optimizers). Specifically, we show that the weight space over different numbers of hidden nodes of the 2-layer network is equipped with a semi-ring algebraic structure, and the loss function to be optimized consists of monomial potentials, which are ring homomorphism, allowing partial solutions to be composed into global ones by ring addition and multiplication. Our experiments show that around 95% of the solutions obtained by gradient descent match exactly our theoretical constructions. Although the global optimizers constructed only required a small number of hidden nodes, our analysis on gradient dynamics shows that over-parameterization asymptotically decouples training dynamics and is beneficial. We further show that training dynamics favors simpler solutions under weight decay, and thus high-order global optimizers such as perfect memorization are unfavorable.

We study the learning dynamics of self-predictive learning for reinforcement learning, a family of algorithms that learn representations by minimizing the prediction error of their own future latent representations. Despite its recent empirical success, such algorithms have an apparent defect: trivial representations (such as constants) minimize the prediction error, yet it is obviously undesirable to converge to such solutions. Our central insight is that careful designs of the optimization dynamics are critical to learning meaningful representations. We identify that a faster paced optimization of the predictor and semi-gradient updates on the representation, are crucial to preventing the representation collapse. Then in an idealized setup, we show self-predictive learning dynamics carries out spectral decomposition on the state transition matrix, effectively capturing information of the transition dynamics. Building on the theoretical insights, we propose bidirectional self-predictive learning, a novel self-predictive algorithm that learns two representations simultaneously. We examine the robustness of our theoretical insights with a number of small-scale experiments and showcase the promise of the novel representation learning algorithm with large-scale experiments.

Large Language Models (LLMs) have shown remarkable aptitude in code generation but still struggle on challenging programming tasks. Self-repair -- in which the model debugs and fixes mistakes in its own code -- has recently become a popular way to boost performance in these settings. However, only very limited studies on how and when self-repair works effectively exist in the literature, and one might wonder to what extent a model is really capable of providing accurate feedback on why the code is wrong when that code was generated by the same model. In this paper, we analyze GPT-3.5 and GPT-4's ability to perform self-repair on APPS, a challenging dataset consisting of diverse coding challenges. To do so, we first establish a new evaluation strategy dubbed pass@t that measures the pass rate of the tasks against the total number of tokens sampled from the model, enabling a fair comparison to purely sampling-based approaches. With this evaluation strategy, we find that the effectiveness of self-repair is only seen in GPT-4. We also observe that self-repair is bottlenecked by the feedback stage; using GPT-4 to give feedback on the programs generated by GPT-3.5 and using expert human programmers to give feedback on the programs generated by GPT-4, we unlock significant performance gains.

We enhance the calculus of string diagrams for monoidal categories with hierarchical features in order to capture closed monoidal (and cartesian closed) structure. Using this new syntax we formulate an automatic differentiation algorithm for (applied) simply typed lambda calculus in the style of [Pearlmutter and Siskind 2008] and we prove for the first time its soundness. To give an efficient yet principled implementation of the AD algorithm we define a sound and complete representation of hierarchical string diagrams as a class of hierarchical hypergraphs we call hypernets.

Standard training pipelines for large language models (LLMs) are typically unidirectional, progressing from pre-training to post-training. However, the potential for a bidirectional process--where insights from post-training retroactively improve the pre-trained foundation--remains unexplored. We aim to establish a self-reinforcing flywheel: a cycle in which reinforcement learning (RL)-tuned model strengthens the base model, which in turn enhances subsequent post-training performance, requiring no specially trained teacher or reference model. To realize this, we analyze training dynamics and identify the mid-training (annealing) phase as a critical turning point for model capabilities. This phase typically occurs at the end of pre-training, utilizing high-quality corpora under a rapidly decaying learning rate. Building upon this insight, we introduce ReMiT (Reinforcement Learning-Guided Mid-Training). Specifically, ReMiT leverages the reasoning priors of RL-tuned models to dynamically reweight tokens during the mid-training phase, prioritizing those pivotal for reasoning. Empirically, ReMiT achieves an average improvement of 3\% on 10 pre-training benchmarks, spanning math, code, and general reasoning, and sustains these gains by over 2\% throughout the post-training pipeline. These results validate an iterative feedback loop, enabling continuous and self-reinforcing evolution of LLMs.

Self-Distillation is a special type of knowledge distillation where the student model has the same architecture as the teacher model. Despite using the same architecture and the same training data, self-distillation has been empirically observed to improve performance, especially when applied repeatedly. For such a process, there is a fundamental question of interest: How much gain is possible by applying multiple steps of self-distillation? To investigate this relative gain, we propose studying the simple but canonical task of linear regression. Our analysis shows that the excess risk achieved by multi-step self-distillation can significantly improve upon a single step of self-distillation, reducing the excess risk by a factor as large as d, where d is the input dimension. Empirical results on regression tasks from the UCI repository show a reduction in the learnt model's risk (MSE) by up to 47%.

We present our position on the elusive quest for a general-purpose framework for specifying and studying deep learning architectures. Our opinion is that the key attempts made so far lack a coherent bridge between specifying constraints which models must satisfy and specifying their implementations. Focusing on building a such a bridge, we propose to apply category theory -- precisely, the universal algebra of monads valued in a 2-category of parametric maps -- as a single theory elegantly subsuming both of these flavours of neural network design. To defend our position, we show how this theory recovers constraints induced by geometric deep learning, as well as implementations of many architectures drawn from the diverse landscape of neural networks, such as RNNs. We also illustrate how the theory naturally encodes many standard constructs in computer science and automata theory.

Dynamical systems (DS) theory is fundamental for many areas of science and engineering. It can provide deep insights into the behavior of systems evolving in time, as typically described by differential or recursive equations. A common approach to facilitate mathematical tractability and interpretability of DS models involves decomposing nonlinear DS into multiple linear DS separated by switching manifolds, i.e. piecewise linear (PWL) systems. PWL models are popular in engineering and a frequent choice in mathematics for analyzing the topological properties of DS. However, hand-crafting such models is tedious and only possible for very low-dimensional scenarios, while inferring them from data usually gives rise to unnecessarily complex representations with very many linear subregions. Here we introduce Almost-Linear Recurrent Neural Networks (AL-RNNs) which automatically and robustly produce most parsimonious PWL representations of DS from time series data, using as few PWL nonlinearities as possible. AL-RNNs can be efficiently trained with any SOTA algorithm for dynamical systems reconstruction (DSR), and naturally give rise to a symbolic encoding of the underlying DS that provably preserves important topological properties. We show that for the Lorenz and R\"ossler systems, AL-RNNs discover, in a purely data-driven way, the known topologically minimal PWL representations of the corresponding chaotic attractors. We further illustrate on two challenging empirical datasets that interpretable symbolic encodings of the dynamics can be achieved, tremendously facilitating mathematical and computational analysis of the underlying systems.

Extending the forecasting time is a critical demand for real applications, such as extreme weather early warning and long-term energy consumption planning. This paper studies the long-term forecasting problem of time series. Prior Transformer-based models adopt various self-attention mechanisms to discover the long-range dependencies. However, intricate temporal patterns of the long-term future prohibit the model from finding reliable dependencies. Also, Transformers have to adopt the sparse versions of point-wise self-attentions for long series efficiency, resulting in the information utilization bottleneck. Going beyond Transformers, we design Autoformer as a novel decomposition architecture with an Auto-Correlation mechanism. We break with the pre-processing convention of series decomposition and renovate it as a basic inner block of deep models. This design empowers Autoformer with progressive decomposition capacities for complex time series. Further, inspired by the stochastic process theory, we design the Auto-Correlation mechanism based on the series periodicity, which conducts the dependencies discovery and representation aggregation at the sub-series level. Auto-Correlation outperforms self-attention in both efficiency and accuracy. In long-term forecasting, Autoformer yields state-of-the-art accuracy, with a 38% relative improvement on six benchmarks, covering five practical applications: energy, traffic, economics, weather and disease. Code is available at this repository: https://github.com/thuml/Autoformer.

We study the scaling properties of avalanche activity in the two-dimensional Abelian sandpile model. Instead of the conventional avalanche size distribution, we analyze the site activity distribution, which measures how often a site participates in avalanches when grains are added across the lattice. Using numerical simulations for system sizes up to \(L = 160\), averaged over \(10^4\) configurations, we determine the probability distribution \(P(A, L)\) of site activities. The results show that \(P(A, L)\) follows a finite-size scaling form \[ P(A, L) \sim L^{-2} F\Big(A{L^2}\Big). \] For small values \(A \ll L^2\) the scaling function behaves as \[ F(u) \sim u^{-1/2}, \quad corresponding to \quad P(A) \sim 1{L}, \] while for large activities \(A \sim O(L^2)\) the distribution decays as \[ F(u) \sim \exp\big(-c_3 u - c_4 u^2\big). \] The crossover between these two regimes occurs at \[ A^* \sim 0.1 \, L^2, \] marking the threshold between typical and highly excitable sites. This characterization of local avalanche activity provides complementary information to the usual avalanche size statistics, highlighting how local regions serve as frequent conduits for critical dynamics. These results may help connect sandpile models to real-world self-organized critical systems where only partial local activity can be observed.

We introduce a novel score-based diffusion framework named Twigs that incorporates multiple co-evolving flows for enriching conditional generation tasks. Specifically, a central or trunk diffusion process is associated with a primary variable (e.g., graph structure), and additional offshoot or stem processes are dedicated to dependent variables (e.g., graph properties or labels). A new strategy, which we call loop guidance, effectively orchestrates the flow of information between the trunk and the stem processes during sampling. This approach allows us to uncover intricate interactions and dependencies, and unlock new generative capabilities. We provide extensive experiments to demonstrate strong performance gains of the proposed method over contemporary baselines in the context of conditional graph generation, underscoring the potential of Twigs in challenging generative tasks such as inverse molecular design and molecular optimization.

Discovering the underlying relationships among variables from temporal observations has been a longstanding challenge in numerous scientific disciplines, including biology, finance, and climate science. The dynamics of such systems are often best described using continuous-time stochastic processes. Unfortunately, most existing structure learning approaches assume that the underlying process evolves in discrete-time and/or observations occur at regular time intervals. These mismatched assumptions can often lead to incorrect learned structures and models. In this work, we introduce a novel structure learning method, SCOTCH, which combines neural stochastic differential equations (SDE) with variational inference to infer a posterior distribution over possible structures. This continuous-time approach can naturally handle both learning from and predicting observations at arbitrary time points. Theoretically, we establish sufficient conditions for an SDE and SCOTCH to be structurally identifiable, and prove its consistency under infinite data limits. Empirically, we demonstrate that our approach leads to improved structure learning performance on both synthetic and real-world datasets compared to relevant baselines under regular and irregular sampling intervals.

Can you find an xy-equation that, when graphed, writes itself on the plane? This idea became internet-famous when a Wikipedia article on Tupper's self-referential formula went viral in 2012. Under scrutiny, the question has two flaws: it is meaningless (it depends on typography) and it is trivial (for reasons we will explain). We fix these flaws by formalizing the problem, and we give a very general solution using techniques from computability theory.

Modularization is a cornerstone of computer science, abstracting complex functions into atomic building blocks. In this paper, we introduce a new level of modularization by abstracting generative models into atomic generative modules. Analogous to fractals in mathematics, our method constructs a new type of generative model by recursively invoking atomic generative modules, resulting in self-similar fractal architectures that we call fractal generative models. As a running example, we instantiate our fractal framework using autoregressive models as the atomic generative modules and examine it on the challenging task of pixel-by-pixel image generation, demonstrating strong performance in both likelihood estimation and generation quality. We hope this work could open a new paradigm in generative modeling and provide a fertile ground for future research. Code is available at https://github.com/LTH14/fractalgen.

The discovery of novel materials and functional molecules can help to solve some of society's most urgent challenges, ranging from efficient energy harvesting and storage to uncovering novel pharmaceutical drug candidates. Traditionally matter engineering -- generally denoted as inverse design -- was based massively on human intuition and high-throughput virtual screening. The last few years have seen the emergence of significant interest in computer-inspired designs based on evolutionary or deep learning methods. The major challenge here is that the standard strings molecular representation SMILES shows substantial weaknesses in that task because large fractions of strings do not correspond to valid molecules. Here, we solve this problem at a fundamental level and introduce SELFIES (SELF-referencIng Embedded Strings), a string-based representation of molecules which is 100\% robust. Every SELFIES string corresponds to a valid molecule, and SELFIES can represent every molecule. SELFIES can be directly applied in arbitrary machine learning models without the adaptation of the models; each of the generated molecule candidates is valid. In our experiments, the model's internal memory stores two orders of magnitude more diverse molecules than a similar test with SMILES. Furthermore, as all molecules are valid, it allows for explanation and interpretation of the internal working of the generative models.

We study the realizability of simplicial complexes with a given pair of integer sequences, representing the node degree distribution and the facet size distribution, respectively. While the s-uniform variant of the problem is NP-complete when s geq 3, we identify two populations of input sequences, most of which can be solved in polynomial time using a recursive algorithm that we contribute. Combining with a sampler for the simplicial configuration model [J.-G. Young et al., Phys. Rev. E 96, 032312 (2017)], we facilitate the efficient sampling of simplicial ensembles from arbitrary degree and size distributions. We find that, contrary to expectations based on dyadic networks, increasing the nodes' degrees reduces the number of loops in simplicial complexes. Our work unveils a fundamental constraint on the degree-size sequences and sheds light on further analysis of higher-order phenomena based on local structures.

We develop a discipline-agnostic emergence calculus that treats theories as fixed points of idempotent operators acting on descriptions. We show that, once processes are composable but access to the underlying system is mediated by a bounded observational interface, a canonical toolkit of six closure-changing primitives (P1--P6) is unavoidable. The framework unifies order-theoretic closure operators with dynamics-induced endomaps E_{τ,f} built from a Markov kernel, a coarse-graining lens, and a time scale τ. We introduce a computable total-variation idempotence defect for E_{τ,f}; small retention error implies approximate idempotence and yields stable "objects" packaged at the chosen τ within a fixed lens. For directionality, we define an arrow-of-time functional as the path-space KL divergence between forward and time-reversed trajectories and prove it is monotone under coarse-graining (data processing); we also formalize a protocol-trap audit showing that protocol holonomy alone cannot sustain asymmetry without a genuine affinity in the lifted dynamics. Finally, we prove a finite forcing-style counting lemma: relative to a partition-based theory, definable predicate extensions are exponentially rare, giving a clean anti-saturation mechanism for strict ladder climbing.

Noise is a ubiquitous feature of the physical world. As a result, the first prerequisite of life is fault tolerance: maintaining integrity of state despite external bombardment. Recent experimental advances have revealed that biological systems achieve fault tolerance by implementing mathematically intricate error-correcting codes and by organizing in a modular fashion that physically separates functionally distinct subsystems. These elaborate structures represent a vanishing volume in the massive genetic configuration space. How is it possible that the primitive process of evolution, by which all biological systems evolved, achieved such unusual results? In this work, through experiments in Boolean networks, we show that the simultaneous presence of error correction and modularity in biological systems is no coincidence. Rather, it is a typical co-occurrence in noisy dynamic systems undergoing evolution. From this, we deduce the principle of error correction enhanced evolvability: systems possessing error-correcting codes are more effectively improved by evolution than those without.

In this paper, it is shown that if a sequence of resistance metric spaces equipped with measures converges with respect to the local Gromov-Hausdorff-vague topology, and certain non-explosion and metric-entropy conditions are satisfied, then the associated stochastic processes and their local times also converge. The metric-entropy condition can be checked by applying volume estimates of balls. Whilst similar results have been proved previously, the approach of this article is more widely applicable. Indeed, we recover various known conclusions for scaling limits of some deterministic self-similar fractal graphs, critical Galton-Watson trees, the critical Erdos-R\'enyi random graph and the configuration model (in the latter two cases, we prove for the first time the convergence of the models with respect to the resistance metric and also, for the configuration model, we overcome an error in the existing proof of local time convergence). Moreover, we derive new ones for scaling limits of uniform spanning trees and random recursive fractals. The metric-entropy condition also implies convergence of associated Gaussian processes.

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.

Multi-agent systems (MAS) based on Large Language Models (LLMs) have the potential to solve tasks that are beyond the reach of any single LLM. However, this potential can only be realized when the collaboration mechanism between agents is optimized. Specifically, optimizing the communication structure between agents is critical for fruitful collaboration. Most existing approaches rely on fixed topologies, pretrained graph generators, optimization over edges, or employ external LLM judges, thereby adding to the complexity. In this work, we introduce a response-conditioned framework that adapts communication on-the-fly. Agents independently generate responses to the user query and assess peer contributions using an approximation of the Shapley value. A directed acyclic graph (DAG) is then constructed to regulate the propagation of the responses among agents, which ensures stable and efficient message transmission from high-contributing agents to others. This graph is dynamically updated based on the agent responses from the previous collaboration round. Since the proposed framework enables the self-organization of agents without additional supervision or training, we refer to it as SelfOrg. The SelfOrg framework goes beyond task- and query-level optimization and takes into account the stochastic nature of agent responses. Experiments with both strong and weak LLM backends demonstrate robust performance, with significant gains in the weak regime where prior methods collapse. We also theoretically show that multiple agents increase the chance of correctness and that the correct responses naturally dominate the information flow.

Graph Neural Networks (GNNs) have advanced graph structure understanding via recursive information exchange and aggregation among graph nodes. To improve model robustness, self-supervised learning (SSL) has emerged as a promising approach for data augmentation. However, existing methods for generating pre-trained graph embeddings often rely on fine-tuning with specific downstream task labels, which limits their usability in scenarios where labeled data is scarce or unavailable. To address this, our research focuses on advancing the generalization capabilities of graph models in challenging zero-shot learning scenarios. Inspired by the success of large language models (LLMs), we aim to develop a graph-oriented LLM that can achieve high generalization across diverse downstream datasets and tasks, even without any information available from the downstream graph data. In this work, we present the GraphGPT framework that aligns LLMs with graph structural knowledge with a graph instruction tuning paradigm. Our framework incorporates a text-graph grounding component to establish a connection between textual information and graph structures. Additionally, we propose a dual-stage instruction tuning paradigm, accompanied by a lightweight graph-text alignment projector. This paradigm explores self-supervised graph structural signals and task-specific graph instructions, to guide LLMs in understanding complex graph structures and improving their adaptability across different downstream tasks. Our framework is evaluated on supervised and zero-shot graph learning tasks, demonstrating superior generalization and outperforming state-of-the-art baselines.

We introduce the Self-Evaluating Model (Self-E), a novel, from-scratch training approach for text-to-image generation that supports any-step inference. Self-E learns from data similarly to a Flow Matching model, while simultaneously employing a novel self-evaluation mechanism: it evaluates its own generated samples using its current score estimates, effectively serving as a dynamic self-teacher. Unlike traditional diffusion or flow models, it does not rely solely on local supervision, which typically necessitates many inference steps. Unlike distillation-based approaches, it does not require a pretrained teacher. This combination of instantaneous local learning and self-driven global matching bridges the gap between the two paradigms, enabling the training of a high-quality text-to-image model from scratch that excels even at very low step counts. Extensive experiments on large-scale text-to-image benchmarks show that Self-E not only excels in few-step generation, but is also competitive with state-of-the-art Flow Matching models at 50 steps. We further find that its performance improves monotonically as inference steps increase, enabling both ultra-fast few-step generation and high-quality long-trajectory sampling within a single unified model. To our knowledge, Self-E is the first from-scratch, any-step text-to-image model, offering a unified framework for efficient and scalable generation.

Self-supervised learning (SSL) has emerged as a powerful framework to learn representations from raw data without supervision. Yet in practice, engineers face issues such as instability in tuning optimizers and collapse of representations during training. Such challenges motivate the need for a theory to shed light on the complex interplay between the choice of data augmentation, network architecture, and training algorithm. We study such an interplay with a precise analysis of generalization performance on both pretraining and downstream tasks in a theory friendly setup, and highlight several insights for SSL practitioners that arise from our theory.

Self-replication is a key aspect of biological life that has been largely overlooked in Artificial Intelligence systems. Here we describe how to build and train self-replicating neural networks. The network replicates itself by learning to output its own weights. The network is designed using a loss function that can be optimized with either gradient-based or non-gradient-based methods. We also describe a method we call regeneration to train the network without explicit optimization, by injecting the network with predictions of its own parameters. The best solution for a self-replicating network was found by alternating between regeneration and optimization steps. Finally, we describe a design for a self-replicating neural network that can solve an auxiliary task such as MNIST image classification. We observe that there is a trade-off between the network's ability to classify images and its ability to replicate, but training is biased towards increasing its specialization at image classification at the expense of replication. This is analogous to the trade-off between reproduction and other tasks observed in nature. We suggest that a self-replication mechanism for artificial intelligence is useful because it introduces the possibility of continual improvement through natural selection.

Large Language Models (LLMs) have achieved significant success in complex reasoning but remain bottlenecked by reliance on expert-annotated data and external verifiers. While existing self-evolution paradigms aim to bypass these constraints, they often fail to identify the optimal learning zone and risk reinforcing collective hallucinations and incorrect priors through flawed internal feedback. To address these challenges, we propose Autonomous Evolutionary Reasoning Optimization (AERO), an unsupervised framework that achieves autonomous reasoning evolution by internalizing self-questioning, answering, and criticism within a synergistic dual-loop system. Inspired by the Zone of Proximal Development (ZPD) theory, AERO utilizes entropy-based positioning to target the ``solvability gap'' and employs Independent Counterfactual Correction for robust verification. Furthermore, we introduce a Staggered Training Strategy to synchronize capability growth across functional roles and prevent curriculum collapse. Extensive evaluations across nine benchmarks spanning three domains demonstrate that AERO achieves average performance improvements of 4.57\% on Qwen3-4B-Base and 5.10\% on Qwen3-8B-Base, outperforming competitive baselines. Code is available at https://github.com/mira-ai-lab/AERO.

The Schr\"odinger Bridge (SB) is a powerful framework for solving generative modeling tasks such as unpaired domain translation. Most SB-related research focuses on continuous data space R^{D} and leaves open theoretical and algorithmic questions about applying SB methods to discrete data, e.g, on finite spaces S^{D}. Notable examples of such sets S are codebooks of vector-quantized (VQ) representations of modern autoencoders, tokens in texts, categories of atoms in molecules, etc. In this paper, we provide a theoretical and algorithmic foundation for solving SB in discrete spaces using the recently introduced Iterative Markovian Fitting (IMF) procedure. Specifically, we theoretically justify the convergence of discrete-time IMF (D-IMF) to SB in discrete spaces. This enables us to develop a practical computational algorithm for SB which we call Categorical Schr\"odinger Bridge Matching (CSBM). We show the performance of CSBM via a series of experiments with synthetic data and VQ representations of images.

Large language models (LLMs) equipped with chain-of-thought (CoT) achieve strong performance and offer a window into LLM behavior. However, recent evidence suggests that improvements in CoT capabilities often come with redundant reasoning processes, motivating a key question: Can LLMs acquire a fast-thinking mode analogous to human System 1 reasoning? To explore this, our study presents a self-sampling framework based on activation steering for efficient CoT learning. Our method can induce style-aligned and variable-length reasoning traces from target LLMs themselves without any teacher guidance, thereby alleviating a central bottleneck of SFT-based methods-the scarcity of high-quality supervision data. Using filtered data by gold answers, we perform SFT for efficient CoT learning with (i) a human-like dual-cognitive system, and (ii) a progressive compression curriculum. Furthermore, we explore a self-evolution regime in which SFT is driven solely by prediction-consistent data of variable-length variants, eliminating the need for gold answers. Extensive experiments on math benchmarks, together with cross-domain generalization tests in medicine, show that our method yields stable improvements for both general and R1-style LLMs. Our data and model checkpoints can be found at https://github.com/DYR1/S3-CoT.

Accurate mathematical reasoning with Large Language Models (LLMs) is crucial in revolutionizing domains that heavily rely on such reasoning. However, LLMs often encounter difficulties in certain aspects of mathematical reasoning, leading to flawed reasoning and erroneous results. To mitigate these issues, we introduce a novel mechanism, the Chain of Self-Correction (CoSC), specifically designed to embed self-correction as an inherent ability in LLMs, enabling them to validate and rectify their own results. The CoSC mechanism operates through a sequence of self-correction stages. In each stage, the LLMs generate a program to address a given problem, execute this program using program-based tools to obtain an output, subsequently verify this output. Based on the verification, the LLMs either proceed to the next correction stage or finalize the answer. This iterative self-correction process allows the LLMs to refine their reasoning steps and improve the accuracy of their mathematical reasoning. To enable the CoSC mechanism at a low cost, we employ a two-phase finetuning approach. In the first phase, the LLMs are trained with a relatively small volume of seeding data generated from GPT-4, establishing an initial CoSC capability. In the second phase, the CoSC capability is further enhanced by training with a larger volume of self-generated data using the trained model in the first phase, without relying on the paid GPT-4. Our comprehensive experiments demonstrate that CoSC significantly improves performance on traditional mathematical datasets among existing open-source LLMs. Notably, our CoSC-Code-34B model achieved a 53.5% score on MATH, the most challenging mathematical reasoning dataset in the public domain, surpassing the performance of well-established models such as ChatGPT, GPT-4, and even multi-modal LLMs like GPT-4V, Gemini-1.0 Pro, and Gemini-1.0 Ultra.

Large language models exhibit sophisticated capabilities, yet understanding how they work internally remains a central challenge. A fundamental obstacle is that training selects for behavior, not circuitry, so many weight configurations can implement the same function. Which internal structures reflect the computation, and which are accidents of a particular training run? This work extracts algorithmic cores: compact subspaces necessary and sufficient for task performance. Independently trained transformers learn different weights but converge to the same cores. Markov-chain transformers embed 3D cores in nearly orthogonal subspaces yet recover identical transition spectra. Modular-addition transformers discover compact cyclic operators at grokking that later inflate, yielding a predictive model of the memorization-to-generalization transition. GPT-2 language models govern subject-verb agreement through a single axis that, when flipped, inverts grammatical number throughout generation across scales. These results reveal low-dimensional invariants that persist across training runs and scales, suggesting that transformer computations are organized around compact, shared algorithmic structures. Mechanistic interpretability could benefit from targeting such invariants -- the computational essence -- rather than implementation-specific details.

We investigate causal computations taking sequences of inputs to sequences of outputs where the nth output depends on the first n inputs only. We model these in category theory via a construction taking a Cartesian category C to another category St(C) with a novel trace-like operation called "delayed trace", which misses yanking and dinaturality axioms of the usual trace. The delayed trace operation provides a feedback mechanism in St(C) with an implicit guardedness guarantee. When C is equipped with a Cartesian differential operator, we construct a differential operator for St(C) using an abstract version of backpropagation through time, a technique from machine learning based on unrolling of functions. This obtains a swath of properties for backpropagation through time, including a chain rule and Schwartz theorem. Our differential operator is also able to compute the derivative of a stateful network without requiring the network to be unrolled.

We give a conceptual treatment of the notion of joints, marginals, and independence in the setting of categorical probability. This is achieved by endowing the usual probability monads (like the Giry monad) with a monoidal and an opmonoidal structure, mutually compatible (i.e. a bimonoidal structure). If the underlying monoidal category is cartesian monoidal, a bimonoidal structure is given uniquely by a commutative strength. However, if the underlying monoidal category is not cartesian monoidal, a strength is not enough to guarantee all the desired properties of joints and marginals. A bimonoidal structure is then the correct requirement for the more general case. We explain the theory and the operational interpretation, with the help of the graphical calculus for monoidal categories. We give a definition of stochastic independence based on the bimonoidal structure, compatible with the intuition and with other approaches in the literature for cartesian monoidal categories. We then show as an example that the Kantorovich monad on the category of complete metric spaces is a bimonoidal monad for a non-cartesian monoidal structure.

Music relies heavily on repetition to build structure and meaning. Self-reference occurs on multiple timescales, from motifs to phrases to reusing of entire sections of music, such as in pieces with ABA structure. The Transformer (Vaswani et al., 2017), a sequence model based on self-attention, has achieved compelling results in many generation tasks that require maintaining long-range coherence. This suggests that self-attention might also be well-suited to modeling music. In musical composition and performance, however, relative timing is critically important. Existing approaches for representing relative positional information in the Transformer modulate attention based on pairwise distance (Shaw et al., 2018). This is impractical for long sequences such as musical compositions since their memory complexity for intermediate relative information is quadratic in the sequence length. We propose an algorithm that reduces their intermediate memory requirement to linear in the sequence length. This enables us to demonstrate that a Transformer with our modified relative attention mechanism can generate minute-long compositions (thousands of steps, four times the length modeled in Oore et al., 2018) with compelling structure, generate continuations that coherently elaborate on a given motif, and in a seq2seq setup generate accompaniments conditioned on melodies. We evaluate the Transformer with our relative attention mechanism on two datasets, JSB Chorales and Piano-e-Competition, and obtain state-of-the-art results on the latter.

The chain-structured long short-term memory (LSTM) has showed to be effective in a wide range of problems such as speech recognition and machine translation. In this paper, we propose to extend it to tree structures, in which a memory cell can reflect the history memories of multiple child cells or multiple descendant cells in a recursive process. We call the model S-LSTM, which provides a principled way of considering long-distance interaction over hierarchies, e.g., language or image parse structures. We leverage the models for semantic composition to understand the meaning of text, a fundamental problem in natural language understanding, and show that it outperforms a state-of-the-art recursive model by replacing its composition layers with the S-LSTM memory blocks. We also show that utilizing the given structures is helpful in achieving a performance better than that without considering the structures.

We introduce SELF-DISCOVER, a general framework for LLMs to self-discover the task-intrinsic reasoning structures to tackle complex reasoning problems that are challenging for typical prompting methods. Core to the framework is a self-discovery process where LLMs select multiple atomic reasoning modules such as critical thinking and step-by-step thinking, and compose them into an explicit reasoning structure for LLMs to follow during decoding. SELF-DISCOVER substantially improves GPT-4 and PaLM 2's performance on challenging reasoning benchmarks such as BigBench-Hard, grounded agent reasoning, and MATH, by as much as 32% compared to Chain of Thought (CoT). Furthermore, SELF-DISCOVER outperforms inference-intensive methods such as CoT-Self-Consistency by more than 20%, while requiring 10-40x fewer inference compute. Finally, we show that the self-discovered reasoning structures are universally applicable across model families: from PaLM 2-L to GPT-4, and from GPT-4 to Llama2, and share commonalities with human reasoning patterns.

Standard LLM distillation wastes compute on two fronts: problems the student has already mastered (near-zero gradients) and problems far beyond its reach (incoherent gradients that erode existing capabilities). We show that this waste is not merely intuitive but structurally inevitable: the gradient signal-to-noise ratio in distillation provably vanishes at both pass-rate extremes. This theoretical observation leads to Paced, a framework that concentrates distillation on the zone of proximal development -- the frontier of a student model's competence -- via a principled pass-rate weight w(p) = p^α(1 - p)^β derived from the boundary-vanishing structure of distillation gradients. Key results: (1) Theory: We prove that the Beta kernel w(p) = p^α(1-p)^β is a leading-order weight family arising from the SNR structure of distillation, and that it is minimax-robust -- under bounded multiplicative misspecification, worst-case efficiency loss is only O(δ^2). (2)Distillation: On distillation from a larger teacher to a smaller student model with forward KL, Paced achieves significant gain over the base model, while keeping benchmark forgetting at a low level. (3)Self-distillation: On instruction-tuned models with reverse KL, gains are exceeding baselines as well. (4)Two-stage synergy: A forward-KL-then-reverse-KL schedule yields the strongest results in our setting, reaching substantial improvements on standard reasoning benchmarks -- supporting a mode-coverage-then-consolidation interpretation of the distillation process. All configurations require only student rollouts to estimate pass rates, need no architectural changes, and are compatible with any KL direction.

In this article we discuss a relation between the string topology and differential forms based on the theory of Chen's iterated integrals and the cyclic bar complex.

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.

We propose Ambient Dataloops, an iterative framework for refining datasets that makes it easier for diffusion models to learn the underlying data distribution. Modern datasets contain samples of highly varying quality, and training directly on such heterogeneous data often yields suboptimal models. We propose a dataset-model co-evolution process; at each iteration of our method, the dataset becomes progressively higher quality, and the model improves accordingly. To avoid destructive self-consuming loops, at each generation, we treat the synthetically improved samples as noisy, but at a slightly lower noisy level than the previous iteration, and we use Ambient Diffusion techniques for learning under corruption. Empirically, Ambient Dataloops achieve state-of-the-art performance in unconditional and text-conditional image generation and de novo protein design. We further provide a theoretical justification for the proposed framework that captures the benefits of the data looping procedure.

Deep Learning is often depicted as a trio of data-architecture-loss. Yet, recent Self Supervised Learning (SSL) solutions have introduced numerous additional design choices, e.g., a projector network, positive views, or teacher-student networks. These additions pose two challenges. First, they limit the impact of theoretical studies that often fail to incorporate all those intertwined designs. Second, they slow-down the deployment of SSL methods to new domains as numerous hyper-parameters need to be carefully tuned. In this study, we bring forward the surprising observation that--at least for pretraining datasets of up to a few hundred thousands samples--the additional designs introduced by SSL do not contribute to the quality of the learned representations. That finding not only provides legitimacy to existing theoretical studies, but also simplifies the practitioner's path to SSL deployment in numerous small and medium scale settings. Our finding answers a long-lasting question: the often-experienced sensitivity to training settings and hyper-parameters encountered in SSL come from their design, rather than the absence of supervised guidance.

The reverse derivative is a fundamental operation in machine learning and automatic differentiation. This paper gives a direct axiomatization of a category with a reverse derivative operation, in a similar style to that given by Cartesian differential categories for a forward derivative. Intriguingly, a category with a reverse derivative also has a forward derivative, but the converse is not true. In fact, we show explicitly what a forward derivative is missing: a reverse derivative is equivalent to a forward derivative with a dagger structure on its subcategory of linear maps. Furthermore, we show that these linear maps form an additively enriched category with dagger biproducts.

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.

While Large Language Models (LLMs) enable complex autonomous behavior, current agents remain constrained by static, human-designed prompts that limit adaptability. Existing self-improving frameworks attempt to bridge this gap but typically rely on inefficient, multi-turn recursive loops that incur high computational costs. To address this, we propose Metacognitive Agent Reflective Self-improvement (MARS), a framework that achieves efficient self-evolution within a single recurrence cycle. Inspired by educational psychology, MARS mimics human learning by integrating principle-based reflection (abstracting normative rules to avoid errors) and procedural reflection (deriving step-by-step strategies for success). By synthesizing these insights into optimized instructions, MARS allows agents to systematically refine their reasoning logic without continuous online feedback. Extensive experiments on six benchmarks demonstrate that MARS outperforms state-of-the-art self-evolving systems while significantly reducing computational overhead.

Self-supervised learning holds promise to revolutionize molecule property prediction - a central task to drug discovery and many more industries - by enabling data efficient learning from scarce experimental data. Despite significant progress, non-pretrained methods can be still competitive in certain settings. We reason that architecture might be a key bottleneck. In particular, enriching the backbone architecture with domain-specific inductive biases has been key for the success of self-supervised learning in other domains. In this spirit, we methodologically explore the design space of the self-attention mechanism tailored to molecular data. We identify a novel variant of self-attention adapted to processing molecules, inspired by the relative self-attention layer, which involves fusing embedded graph and distance relationships between atoms. Our main contribution is Relative Molecule Attention Transformer (R-MAT): a novel Transformer-based model based on the developed self-attention layer that achieves state-of-the-art or very competitive results across a~wide range of molecule property prediction tasks.

RNA design aims to find a sequence that folds with highest probability into a designated target structure. However, certain structures are undesignable, meaning no sequence can fold into the target structure under the default (Turner) RNA folding model. Understanding the specific local structures (i.e., "motifs") that contribute to undesignability is crucial for refining RNA folding models and determining the limits of RNA designability. Despite its importance, this problem has received very little attention, and previous efforts are neither scalable nor interpretable. We develop a new theoretical framework for motif (un-)designability, and design scalable and interpretable algorithms to identify minimal undesignable motifs within a given RNA secondary structure. Our approach establishes motif undesignability by searching for rival motifs, rather than exhaustively enumerating all (partial) sequences that could potentially fold into the motif. Furthermore, we exploit rotational invariance in RNA structures to detect, group, and reuse equivalent motifs and to construct a database of unique minimal undesignable motifs. To achieve that, we propose a loop-pair graph representation for motifs and a recursive graph isomorphism algorithm for motif equivalence. Our algorithms successfully identify 24 unique minimal undesignable motifs among 18 undesignable puzzles from the Eterna100 benchmark. Surprisingly, we also find over 350 unique minimal undesignable motifs and 663 undesignable native structures in the ArchiveII dataset, drawn from a diverse set of RNA families. Our source code is available at https://github.com/shanry/RNA-Undesign and our web server is available at http://linearfold.org/motifs.

Networks provide a powerful formalism for modeling complex systems by using a model of pairwise interactions. But much of the structure within these systems involves interactions that take place among more than two nodes at once; for example, communication within a group rather than person-to person, collaboration among a team rather than a pair of coauthors, or biological interaction between a set of molecules rather than just two. Such higher-order interactions are ubiquitous, but their empirical study has received limited attention, and little is known about possible organizational principles of such structures. Here we study the temporal evolution of 19 datasets with explicit accounting for higher-order interactions. We show that there is a rich variety of structure in our datasets but datasets from the same system types have consistent patterns of higher-order structure. Furthermore, we find that tie strength and edge density are competing positive indicators of higher-order organization, and these trends are consistent across interactions involving differing numbers of nodes. To systematically further the study of theories for such higher-order structures, we propose higher-order link prediction as a benchmark problem to assess models and algorithms that predict higher-order structure. We find a fundamental differences from traditional pairwise link prediction, with a greater role for local rather than long-range information in predicting the appearance of new interactions.

Gross, Mansour, and Tucker introduced the partial-duality polynomial of a ribbon graph [Distributions, European J. Combin. 86, 1--20, 2020], the generating function enumerating partial duals by the Euler genus. Chmutov and Vignes-Tourneret wondered if this polynomial and its conjectured properties would hold for general delta-matroids, which are combinatorial abstractions of ribbon graphs. Yan and Jin contributed to this inquiry by identifying a subset of delta-matroids-specifically, even normal binary ones-whose twist polynomials are characterized by a singular term. Building upon this foundation, the current paper expands the scope of the investigation to encompass even non-binary delta-matroids, revealing that none of them have width-changing twists.

Large language models (LLMs) often fail to learn effective long chain-of-thought (Long CoT) reasoning from human or non-Long-CoT LLMs imitation. To understand this, we propose that effective and learnable Long CoT trajectories feature stable molecular-like structures in unified view, which are formed by three interaction types: Deep-Reasoning (covalent-like), Self-Reflection (hydrogen-bond-like), and Self-Exploration (van der Waals-like). Analysis of distilled trajectories reveals these structures emerge from Long CoT fine-tuning, not keyword imitation. We introduce Effective Semantic Isomers and show that only bonds promoting fast entropy convergence support stable Long CoT learning, while structural competition impairs training. Drawing on these findings, we present Mole-Syn, a distribution-transfer-graph method that guides synthesis of effective Long CoT structures, boosting performance and RL stability across benchmarks.

Instruction tuning is a supervised fine-tuning approach that significantly improves the ability of large language models (LLMs) to follow human instructions. We propose SelfCodeAlign, the first fully transparent and permissive pipeline for self-aligning code LLMs without extensive human annotations or distillation. SelfCodeAlign employs the same base model for inference throughout the data generation process. It first extracts diverse coding concepts from high-quality seed snippets to generate new tasks. It then samples multiple responses per task, pairs each with test cases, and validates them in a sandbox environment. Finally, passing examples are selected for instruction tuning. In our primary experiments, we use SelfCodeAlign with CodeQwen1.5-7B to generate a dataset of 74k instruction-response pairs. Finetuning on this dataset leads to a model that achieves a 67.1 pass@1 on HumanEval+, surpassing CodeLlama-70B-Instruct despite being ten times smaller. Across all benchmarks, this finetuned model consistently outperforms the original version trained with OctoPack, the previous state-of-the-art method for instruction tuning without human annotations or distillation. Additionally, we show that SelfCodeAlign is effective across LLMs of various sizes, from 3B to 33B, and that the base models can benefit more from alignment with their own data distribution. We further validate each component's effectiveness in our pipeline, showing that SelfCodeAlign outperforms both direct distillation from GPT-4o and leading GPT-3.5-based distillation methods, such as OSS-Instruct and Evol-Instruct. SelfCodeAlign has also led to the creation of StarCoder2-Instruct, the first fully transparent, permissively licensed, and self-aligned code LLM that achieves state-of-the-art coding performance.

To generalise evolution families we consider systems of contractions {varphi(u, v)}_{(u, v) in E} defined on the edges of a graph G = (Ω, E). In this setup the Markov property, or divisibility, can be modelled via varphi(u, v)varphi(v, w) = varphi(u, w) for edges (u, v), (v, w), (u, w) in E. We obtain results in three settings: 1) contractive Banach space operators; 2) positive unital maps on C^{ast}-algebras; and 3) CPTP-maps on trace class operators on a Hilbert space. In the discrete setting, we are able to dilate possibly indivisible families of contractions to divisible families of operators with 'nice' properties (viz. surjective isometries resp. C^{ast}-algebraic automorphisms resp. unitary representations). In the special case of linearly ordered graphs equipped with the order topology, we establish sufficient conditions for strongly continuous dilations of possibly indivisible families in the Banach space and C^{ast}-algebra contexts. To achieve these results we work with string-rewriting systems, and make use of and extend dilation theorems of Stroescu [44], Kraus [23, 24], and vom Ende--Dirr [50].

Recent years have seen a surprising connection between the physics of scattering amplitudes and a class of mathematical objects--the positive Grassmannian, positive loop Grassmannians, tree and loop Amplituhedra--which have been loosely referred to as "positive geometries". The connection between the geometry and physics is provided by a unique differential form canonically determined by the property of having logarithmic singularities (only) on all the boundaries of the space, with residues on each boundary given by the canonical form on that boundary. In this paper we initiate an exploration of "positive geometries" and "canonical forms" as objects of study in their own right in a more general mathematical setting. We give a precise definition of positive geometries and canonical forms, introduce general methods for finding forms for more complicated positive geometries from simpler ones, and present numerous examples of positive geometries in projective spaces, Grassmannians, and toric, cluster and flag varieties. We also illustrate a number of strategies for computing canonical forms which yield interesting representations for the forms associated with wide classes of positive geometries, ranging from the simplest Amplituhedra to new expressions for the volume of arbitrary convex polytopes.

Transformers evaluated in a single, fixed-depth pass are provably limited in expressive power to the constant-depth circuit class TC0. Running a Transformer autoregressively removes that ceiling -- first in next-token prediction and, more recently, in chain-of-thought reasoning. Both regimes rely on feedback loops that decode internal states into tokens only to re-encode them in subsequent steps. While this "thinking aloud" mirrors human reasoning, biological brains iterate without externalising intermediate states as language. To boost the expressive power of encoder Transformers without resorting to token-level autoregression, we introduce the SELF-Transformer: an encoder layer that iteratively refines its own attention weights to a fixed point. Instead of producing -- in one pass -- the alignment matrix that remixes the input sequence, the SELF-Transformer iteratively updates that matrix internally, scaling test-time computation with input difficulty. This adaptivity yields up to 20\% accuracy gains on encoder-style benchmarks without increasing parameter count, demonstrating that input-adaptive alignment at test time offers substantial benefits for only a modest extra compute budget. Self-Transformers thus recover much of the expressive power of iterative reasoning while preserving the simplicity of pure encoder architectures.

Recent studies operationalize self-improvement through coding agents that edit their own codebases. They grow a tree of self-modifications through expansion strategies that favor higher software engineering benchmark performance, assuming that this implies more promising subsequent self-modifications. However, we identify a mismatch between the agent's self-improvement potential (metaproductivity) and its coding benchmark performance, namely the Metaproductivity-Performance Mismatch. Inspired by Huxley's concept of clade, we propose a metric (CMP) that aggregates the benchmark performances of the descendants of an agent as an indicator of its potential for self-improvement. We show that, in our self-improving coding agent development setting, access to the true CMP is sufficient to simulate how the G\"odel Machine would behave under certain assumptions. We introduce the Huxley-G\"odel Machine (HGM), which, by estimating CMP and using it as guidance, searches the tree of self-modifications. On SWE-bench Verified and Polyglot, HGM outperforms prior self-improving coding agent development methods while using less wall-clock time. Last but not least, HGM demonstrates strong transfer to other coding datasets and large language models. The agent optimized by HGM on SWE-bench Verified with GPT-5-mini and evaluated on SWE-bench Lite with GPT-5 achieves human-level performance, matching the best officially checked results of human-engineered coding agents. Our code is available at https://github.com/metauto-ai/HGM.

Variational algorithms require architectures that naturally constrain the optimisation space to run efficiently. In geometric quantum machine learning, one achieves this by encoding group structure into parameterised quantum circuits to include the symmetries of a problem as an inductive bias. However, constructing such circuits is challenging as a concrete guiding principle has yet to emerge. In this paper, we propose the use of spin networks, a form of directed tensor network invariant under a group transformation, to devise SU(2) equivariant quantum circuit ans\"atze -- circuits possessing spin rotation symmetry. By changing to the basis that block diagonalises SU(2) group action, these networks provide a natural building block for constructing parameterised equivariant quantum circuits. We prove that our construction is mathematically equivalent to other known constructions, such as those based on twirling and generalised permutations, but more direct to implement on quantum hardware. The efficacy of our constructed circuits is tested by solving the ground state problem of SU(2) symmetric Heisenberg models on the one-dimensional triangular lattice and on the Kagome lattice. Our results highlight that our equivariant circuits boost the performance of quantum variational algorithms, indicating broader applicability to other real-world problems.

Topology optimization by optimally distributing materials in a given domain requires non-gradient optimizers to solve highly complicated problems. However, with hundreds of design variables or more involved, solving such problems would require millions of Finite Element Method (FEM) calculations whose computational cost is huge and impractical. Here we report Self-directed Online Learning Optimization (SOLO) which integrates Deep Neural Network (DNN) with FEM calculations. A DNN learns and substitutes the objective as a function of design variables. A small number of training data is generated dynamically based on the DNN's prediction of the optimum. The DNN adapts to the new training data and gives better prediction in the region of interest until convergence. The optimum predicted by the DNN is proved to converge to the true global optimum through iterations. Our algorithm was tested by four types of problems including compliance minimization, fluid-structure optimization, heat transfer enhancement and truss optimization. It reduced the computational time by 2 ~ 5 orders of magnitude compared with directly using heuristic methods, and outperformed all state-of-the-art algorithms tested in our experiments. This approach enables solving large multi-dimensional optimization problems.

We explore a method for improving the performance of large language models through self-reflection and reinforcement learning. By incentivizing the model to generate better self-reflections when it answers incorrectly, we demonstrate that a model's ability to solve complex, verifiable tasks can be enhanced even when generating synthetic data is infeasible and only binary feedback is available. Our framework operates in two stages: first, upon failing a given task, the model generates a self-reflective commentary analyzing its previous attempt; second, the model is given another attempt at the task with the self-reflection in context. If the subsequent attempt succeeds, the tokens generated during the self-reflection phase are rewarded. Our experimental results show substantial performance gains across a variety of model architectures, as high as 34.7% improvement at math equation writing and 18.1% improvement at function calling. Notably, smaller fine-tuned models (1.5 billion to 7 billion parameters) outperform models in the same family that are 10 times larger. Our novel paradigm is thus an exciting pathway to more useful and reliable language models that can self-improve on challenging tasks with limited external feedback.

Traditional methods for automating recommender system design, such as Neural Architecture Search (NAS), are often constrained by a fixed search space defined by human priors, limiting innovation to pre-defined operators. While recent LLM-driven code evolution frameworks shift fixed search space target to open-ended program spaces, they primarily rely on scalar metrics (e.g., NDCG, Hit Ratio) that fail to provide qualitative insights into model failures or directional guidance for improvement. To address this, we propose Self-EvolveRec, a novel framework that establishes a directional feedback loop by integrating a User Simulator for qualitative critiques and a Model Diagnosis Tool for quantitative internal verification. Furthermore, we introduce a Diagnosis Tool - Model Co-Evolution strategy to ensure that evaluation criteria dynamically adapt as the recommendation architecture evolves. Extensive experiments demonstrate that Self-EvolveRec significantly outperforms state-of-the-art NAS and LLM-driven code evolution baselines in both recommendation performance and user satisfaction. Our code is available at https://github.com/Sein-Kim/self_evolverec.

We introduce the AutoGRAMS framework for programming multi-step interactions with language models. AutoGRAMS represents AI agents as a graph, where each node can execute either a language modeling instruction or traditional code. Likewise, transitions in the graph can be governed by either language modeling decisions or traditional branch logic. AutoGRAMS supports using variables as memory and allows nodes to call other AutoGRAMS graphs as functions. We show how AutoGRAMS can be used to design highly sophisticated agents, including self-referential agents that can modify their own graph. AutoGRAMS's graph-centric approach aids interpretability, controllability, and safety during the design, development, and deployment of AI agents. We provide our framework as open source at https://github.com/autograms/autograms .

Self-consistency (SC) is a widely used test-time inference technique for improving performance in chain-of-thought reasoning. It involves generating multiple responses, or samples from a large language model (LLM) and selecting the most frequent answer. This procedure can naturally be viewed as a majority vote or empirical mode estimation. Despite its effectiveness, SC is prohibitively expensive at scale when naively applied to datasets, and it lacks a unified theoretical treatment of sample efficiency and scaling behavior. In this paper, we provide the first comprehensive analysis of SC's scaling behavior and its variants, drawing on mode estimation and voting theory. We derive and empirically validate power law scaling for self-consistency across datasets, and analyze the sample efficiency for fixed-allocation and dynamic-allocation sampling schemes. From these insights, we introduce Blend-ASC, a novel variant of self-consistency that dynamically allocates samples to questions during inference, achieving state-of-the-art sample efficiency. Our approach uses 6.8x fewer samples than vanilla SC on average, outperforming both fixed- and dynamic-allocation SC baselines, thereby demonstrating the superiority of our approach in terms of efficiency. In contrast to existing variants, Blend-ASC is hyperparameter-free and can fit an arbitrary sample budget, ensuring it can be easily applied to any self-consistency application.

This work presents self-rewarding sequential Monte Carlo (SMC), an inference-time scaling algorithm enabling effective sampling of masked diffusion language models (MDLMs). Our algorithm stems from the observation that most existing MDLMs rely on a confidence-based sampling strategy, where only tokens with the highest prediction confidence are preserved at each step. This restricts the generation to a noise-sensitive, greedy decoding paradigm, resulting in an inevitable collapse in the diversity of possible paths. We address this problem by launching multiple interacting diffusion processes in parallel, referred to as particles, for trajectory exploration. Importantly, we introduce the trajectory-level confidence as a self-rewarding signal for assigning particle importance weights. During sampling, particles are iteratively weighted and resampled to systematically steer generation towards globally confident, high-quality samples. Our self-rewarding SMC is verified on various masked diffusion language models and benchmarks, achieving significant improvement without extra training or reward guidance, while effectively converting parallel inference capacity into improved sampling quality. Our code is available at https://github.com/Algolzw/self-rewarding-smc.

Developing robust representations of chemical structures that enable models to learn topological inductive biases is challenging. In this manuscript, we present a representation of atomistic systems. We begin by proving that our representation satisfies all structural, geometric, efficiency, and generalizability constraints. Afterward, we provide a general algorithm to encode any atomistic system. Finally, we report performance comparable to state-of-the-art methods on numerous tasks. We open-source all code and datasets. The code and data are available at https://github.com/rahulkhorana/PolyatomicComplexes.

As systems trend toward superintelligence, a natural modeling premise is that agents can self-improve along every facet of their own design. We formalize this with a five-axis decomposition and a decision layer, separating incentives from learning behavior and analyzing axes in isolation. Our central result identifies and introduces a sharp utility--learning tension, the structural conflict in self-modifying systems whereby utility-driven changes that improve immediate or expected performance can also erode the statistical preconditions for reliable learning and generalization. Our findings show that distribution-free guarantees are preserved iff the policy-reachable model family is uniformly capacity-bounded; when capacity can grow without limit, utility-rational self-changes can render learnable tasks unlearnable. Under standard assumptions common in practice, these axes reduce to the same capacity criterion, yielding a single boundary for safe self-modification. Numerical experiments across several axes validate the theory by comparing destructive utility policies against our proposed two-gate policies that preserve learnability.

Collaborative filtering (CF) is widely used to learn informative latent representations of users and items from observed interactions. Existing CF-based methods commonly adopt negative sampling to discriminate different items. Training with negative sampling on large datasets is computationally expensive. Further, negative items should be carefully sampled under the defined distribution, in order to avoid selecting an observed positive item in the training dataset. Unavoidably, some negative items sampled from the training dataset could be positive in the test set. In this paper, we propose a self-supervised collaborative filtering framework (SelfCF), that is specially designed for recommender scenario with implicit feedback. The proposed SelfCF framework simplifies the Siamese networks and can be easily applied to existing deep-learning based CF models, which we refer to as backbone networks. The main idea of SelfCF is to augment the output embeddings generated by backbone networks, because it is infeasible to augment raw input of user/item ids. We propose and study three output perturbation techniques that can be applied to different types of backbone networks including both traditional CF models and graph-based models. The framework enables learning informative representations of users and items without negative samples, and is agnostic to the encapsulated backbones. We conduct comprehensive experiments on four datasets to show that our framework may achieve even better recommendation accuracy than the encapsulated supervised counterpart with a 2times--4times faster training speed. We also show that SelfCF can boost up the accuracy by up to 17.79% on average, compared with a self-supervised framework BUIR.

Real-world phenomena do not generate arbitrary variability: their signals concentrate on compact, low-variability subsets of functional space, enabling rapid generalization from few examples. A small child can recognize a dog after extremely limited exposure because the perceptual manifold of "dog" is compact, structured, and low-dimensional. We formalize this principle through a deterministic functional-topological framework in which the set of valid realizations produced by a physical process forms a compact subset of a Banach space, endowed with stable invariants, a finite Hausdorff radius, and an induced continuous perceptual functional. This geometry provides explicit limits on knowledge, conditions for identifiability, and guarantees for generalization from sparse evidence -- properties fundamental to both natural and artificial intelligence. Across electromechanical, electrochemical, and physiological domains, we show that real-world processes consistently generate compact perceptual manifolds with the same geometric characteristics. Their boundaries can be discovered in a fully self-supervised manner as the empirical radius saturates with increasing sampling, even when the governing equations are unknown. These results demonstrate that deterministic functional topology offers a unified mathematical foundation for perception, representation, and world-model construction. It provides a geometric explanation for why biological learners and self-supervised AI systems can generalize from few observations, and establishes compact perceptual manifolds as a fundamental building block for future AI architectures. Finally, this work unifies biological perception and modern self-supervised models under a single geometric principle: both derive their generalization ability from the compactness and invariants of real-world perceptual manifolds.

Autoencoders have been proposed as a powerful tool for model-independent anomaly detection in high-energy physics. The operating principle is that events which do not belong to the space of training data will be reconstructed poorly, thus flagging them as anomalies. We point out that in a variety of examples of interest, the connection between large reconstruction error and anomalies is not so clear. In particular, for data sets with nontrivial topology, there will always be points that erroneously seem anomalous due to global issues. Conversely, neural networks typically have an inductive bias or prior to locally interpolate such that undersampled or rare events may be reconstructed with small error, despite actually being the desired anomalies. Taken together, these facts are in tension with the simple picture of the autoencoder as an anomaly detector. Using a series of illustrative low-dimensional examples, we show explicitly how the intrinsic and extrinsic topology of the dataset affects the behavior of an autoencoder and how this topology is manifested in the latent space representation during training. We ground this analysis in the discussion of a mock "bump hunt" in which the autoencoder fails to identify an anomalous "signal" for reasons tied to the intrinsic topology of n-particle phase space.

Reverse derivative categories (RDCs) have recently been shown to be a suitable semantic framework for studying machine learning algorithms. Whereas emphasis has been put on training methodologies, less attention has been devoted to particular model classes: the concrete categories whose morphisms represent machine learning models. In this paper we study presentations by generators and equations of classes of RDCs. In particular, we propose polynomial circuits as a suitable machine learning model. We give an axiomatisation for these circuits and prove a functional completeness result. Finally, we discuss the use of polynomial circuits over specific semirings to perform machine learning with discrete values.

In the domain of code generation, self-debugging is crucial. It allows LLMs to refine their generated code based on execution feedback. This is particularly important because generating correct solutions in one attempt proves challenging for complex tasks. Prior works on self-debugging mostly focus on prompting methods by providing LLMs with few-shot examples, which work poorly on small open-sourced LLMs. In this work, we propose a training framework that significantly improves self-debugging capability of LLMs. Intuitively, we observe that a chain of explanations on the wrong code followed by code refinement helps LLMs better analyze the wrong code and do refinement. We thus propose an automated pipeline to collect a high-quality dataset for code explanation and refinement by generating a number of explanations and refinement trajectories and filtering via execution verification. We perform supervised fine-tuning (SFT) and further reinforcement learning (RL) on both success and failure trajectories with a novel reward design considering code explanation and refinement quality. SFT improves the pass@1 by up to 15.92% and pass@10 by 9.30% over four benchmarks. RL training brings additional up to 3.54% improvement on pass@1 and 2.55% improvement on pass@10. The trained LLMs show iterative refinement ability, and can keep refining code continuously. Lastly, our human evaluation shows that the LLMs trained with our framework generate more useful code explanations and help developers better understand bugs in source code.

Self-supervised learning (SSL) has emerged as a powerful paradigm for learning representations without labeled data, often by enforcing invariance to input transformations such as rotations or blurring. Recent studies have highlighted two pivotal properties for effective representations: (i) avoiding dimensional collapse-where the learned features occupy only a low-dimensional subspace, and (ii) enhancing uniformity of the induced distribution. In this work, we introduce T-REGS, a simple regularization framework for SSL based on the length of the Minimum Spanning Tree (MST) over the learned representation. We provide theoretical analysis demonstrating that T-REGS simultaneously mitigates dimensional collapse and promotes distribution uniformity on arbitrary compact Riemannian manifolds. Several experiments on synthetic data and on classical SSL benchmarks validate the effectiveness of our approach at enhancing representation quality.

Machine learning is becoming an increasingly valuable tool in mathematics, enabling one to identify subtle patterns across collections of examples so vast that they would be impossible for a single researcher to feasibly review and analyze. In this work, we use graph neural networks to investigate quiver mutation -- an operation that transforms one quiver (or directed multigraph) into another -- which is central to the theory of cluster algebras with deep connections to geometry, topology, and physics. In the study of cluster algebras, the question of mutation equivalence is of fundamental concern: given two quivers, can one efficiently determine if one quiver can be transformed into the other through a sequence of mutations? In this paper, we use graph neural networks and AI explainability techniques to independently discover mutation equivalence criteria for quivers of type D. Along the way, we also show that even without explicit training to do so, our model captures structure within its hidden representation that allows us to reconstruct known criteria from type D, adding to the growing evidence that modern machine learning models are capable of learning abstract and parsimonious rules from mathematical data.

Language agents powered by large language models (LLMs) are increasingly valuable as decision-making tools in domains such as gaming and programming. However, these agents often face challenges in achieving high-level goals without detailed instructions and in adapting to environments where feedback is delayed. In this paper, we present SelfGoal, a novel automatic approach designed to enhance agents' capabilities to achieve high-level goals with limited human prior and environmental feedback. The core concept of SelfGoal involves adaptively breaking down a high-level goal into a tree structure of more practical subgoals during the interaction with environments while identifying the most useful subgoals and progressively updating this structure. Experimental results demonstrate that SelfGoal significantly enhances the performance of language agents across various tasks, including competitive, cooperative, and deferred feedback environments. Project page: https://selfgoal-agent.github.io.

Internal modelling of the world -- predicting transitions between previous states X and next states Y under actions Z -- is essential to reasoning and planning for LLMs and VLMs. Learning such models typically requires costly action-labelled trajectories. We propose SWIRL, a self-improvement framework that learns from state-only sequences by treating actions as a latent variable and alternating between Forward World Modelling (FWM) P_θ(Y|X,Z) and an Inverse Dynamics Modelling (IDM) Q_φ(Z|X,Y). SWIRL iterates two phases: (1) Variational Information Maximisation, which updates the FWM to generate next states that maximise conditional mutual information with latent actions given prior states, encouraging identifiable consistency; and (2) ELBO Maximisation, which updates the IDM to explain observed transitions, effectively performing coordinate ascent. Both models are trained with reinforcement learning (specifically, GRPO) with the opposite frozen model's log-probability as a reward signal. We provide theoretical learnability guarantees for both updates, and evaluate SWIRL on LLMs and VLMs across multiple environments: single-turn and multi-turn open-world visual dynamics and synthetic textual environments for physics, web, and tool calling. SWIRL achieves gains of 16% on AURORABench, 28% on ByteMorph, 16% on WorldPredictionBench, and 14% on StableToolBench.

Self-supervised learning (SSL) has emerged as a powerful paradigm for learning representations without labeled data. Most SSL approaches rely on strong, well-established, handcrafted data augmentations to generate diverse views for representation learning. However, designing such augmentations requires domain-specific knowledge and implicitly imposes representational invariances on the model, which can limit generalization. In this work, we propose an unsupervised representation learning method that replaces augmentations by generating views using orthonormal bases and overcomplete frames. We show that embeddings learned from orthonormal and overcomplete spaces reside on distinct manifolds, shaped by the geometric biases introduced by representing samples in different spaces. By jointly leveraging the complementary geometry of these distinct manifolds, our approach achieves superior performance without artificially increasing data diversity through strong augmentations. We demonstrate the effectiveness of our method on nine datasets across five temporal sequence tasks, where signal-specific characteristics make data augmentations particularly challenging. Without relying on augmentation-induced diversity, our method achieves performance gains of up to 15--20\% over existing self-supervised approaches. Source code: https://github.com/eth-siplab/Learning-with-FrameProjections