Daily Papers

Diffusion models have achieved remarkable success in image generation, with applications broadening across various domains. Inpainting is one such application that can benefit significantly from diffusion models. Existing methods either hijack the reverse process of a pretrained diffusion model or cast the problem into a larger framework, \ie, conditioned generation. However, these approaches often require nested loops in the generation process or additional components for conditioning. In this paper, we present region-aware diffusion models (RAD) for inpainting with a simple yet effective reformulation of the vanilla diffusion models. RAD utilizes a different noise schedule for each pixel, which allows local regions to be generated asynchronously while considering the global image context. A plain reverse process requires no additional components, enabling RAD to achieve inference time up to 100 times faster than the state-of-the-art approaches. Moreover, we employ low-rank adaptation (LoRA) to fine-tune RAD based on other pretrained diffusion models, reducing computational burdens in training as well. Experiments demonstrated that RAD provides state-of-the-art results both qualitatively and quantitatively, on the FFHQ, LSUN Bedroom, and ImageNet datasets.

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.

This paper proposes a new optimization algorithm called Entropy-SGD for training deep neural networks that is motivated by the local geometry of the energy landscape. Local extrema with low generalization error have a large proportion of almost-zero eigenvalues in the Hessian with very few positive or negative eigenvalues. We leverage upon this observation to construct a local-entropy-based objective function that favors well-generalizable solutions lying in large flat regions of the energy landscape, while avoiding poorly-generalizable solutions located in the sharp valleys. Conceptually, our algorithm resembles two nested loops of SGD where we use Langevin dynamics in the inner loop to compute the gradient of the local entropy before each update of the weights. We show that the new objective has a smoother energy landscape and show improved generalization over SGD using uniform stability, under certain assumptions. Our experiments on convolutional and recurrent networks demonstrate that Entropy-SGD compares favorably to state-of-the-art techniques in terms of generalization error and training time.

In recent years, large language models (LLMs) have made significant progress in code intelligence, yet systematically evaluating their code understanding and reasoning abilities remains challenging. Mainstream benchmarks such as HumanEval and MBPP primarily assess functional correctness, while reasoning benchmarks like CRUXEVAL are limited to single-function, low-complexity scenarios. As a result, advanced models achieve nearly saturated scores, limiting their discriminative power. To address this, we present STEPWISE-CODEX-Bench (SX-Bench), a novel benchmark designed for complex multi-function understanding and fine-grained execution reasoning. SX-Bench features tasks involving collaboration among multiple sub-functions (e.g., chained calls, nested loops), shifting evaluation towards overall control and data flow modeling. It defines "computation steps" as the minimal execution unit and requires models to predict the total number of steps in reasoning tasks, thereby assessing a model's in-depth understanding of dynamic execution beyond simple I/O matching. Evaluation on over 20 mainstream models (including 14 reasoning-enhanced models) demonstrates that SX-Bench is highly discriminative: even the state-of-the-art OpenAI-O3 achieves only 78.37 percent accuracy on Hard-Reasoning tasks, much lower than its saturated scores on previous benchmarks, thereby revealing bottlenecks in complex and fine-grained reasoning. We also release an automated pipeline combining program synthesis, symbolic execution, and LLM-aided validation for efficient benchmark generation and quality assurance. SX-Bench advances code evaluation from "single-function verification" to "multi-function dynamic reasoning," providing a key tool for the in-depth assessment of advanced code intelligence models.

Many reasoning, planning, and problem-solving tasks share an intrinsic algorithmic nature: correctly simulating each step is a sufficient condition to solve them correctly. We collect pairs of naturalistic and synthetic reasoning tasks to assess the capabilities of Large Language Models (LLM). While naturalistic tasks often require careful human handcrafting, we show that synthetic data is, in many cases, a good proxy that is much easier to collect at scale. We leverage common constructs in programming as the counterpart of the building blocks of naturalistic reasoning tasks, such as straight-line programs, code that contains critical paths, and approximate and redundant instructions. We further assess the capabilities of LLMs on sorting problems and repeated operations via sorting algorithms and nested loops. Our synthetic datasets further reveal that while the most powerful LLMs exhibit relatively strong execution capabilities, the process is fragile: it is negatively affected by memorisation and seems to rely heavily on pattern recognition. Our contribution builds upon synthetically testing the reasoning capabilities of LLMs as a scalable complement to handcrafted human-annotated problems.

Long-context reasoning requires accurately identifying relevant information in extensive, noisy input contexts. Previous research shows that using test-time learning to encode context directly into model parameters can effectively enable reasoning over noisy information. However, meta-learning methods for enabling test-time learning are prohibitively memory-intensive, preventing their application to long context settings. In this work, we propose PERK (Parameter Efficient Reasoning over Knowledge), a scalable approach for learning to encode long input contexts using gradient updates to a lightweight model adapter at test time. Specifically, PERK employs two nested optimization loops in a meta-training phase. The inner loop rapidly encodes contexts into a low-rank adapter (LoRA) that serves as a parameter-efficient memory module for the base model. Concurrently, the outer loop learns to use the updated adapter to accurately recall and reason over relevant information from the encoded long context. Our evaluations on several long-context reasoning tasks show that PERK significantly outperforms the standard prompt-based long-context baseline, achieving average absolute performance gains of up to 90% for smaller models (GPT-2) and up to 27% for our largest evaluated model, Qwen-2.5-0.5B. In general, PERK is more robust to reasoning complexity, length extrapolation, and the locations of relevant information in contexts. Finally, we show that while PERK is memory-intensive during training, it scales more efficiently at inference time than prompt-based long-context inference.

In computer-aided design (CAD) systems, 2D line drawings are commonly used to illustrate 3D object designs. To reconstruct the 3D models depicted by a single 2D line drawing, an important key is finding the edge loops in the line drawing which correspond to the actual faces of the 3D object. In this paper, we approach the classical problem of face identification from a novel data-driven point of view. We cast it as a sequence generation problem: starting from an arbitrary edge, we adopt a variant of the popular Transformer model to predict the edges associated with the same face in a natural order. This allows us to avoid searching the space of all possible edge loops with various hand-crafted rules and heuristics as most existing methods do, deal with challenging cases such as curved surfaces and nested edge loops, and leverage additional cues such as face types. We further discuss how possibly imperfect predictions can be used for 3D object reconstruction.

We introduce a novel framework for efficient sampling from complex, unnormalised target distributions by exploiting multiscale dynamics. Traditional score-based sampling methods either rely on learned approximations of the score function or involve computationally expensive nested Markov chain Monte Carlo (MCMC) loops. In contrast, the proposed approach leverages stochastic averaging within a slow-fast system of stochastic differential equations (SDEs) to estimate intermediate scores along a diffusion path without training or inner-loop MCMC. Two algorithms are developed under this framework: MultALMC, which uses multiscale annealed Langevin dynamics, and MultCDiff, based on multiscale controlled diffusions for the reverse-time Ornstein-Uhlenbeck process. Both overdamped and underdamped variants are considered, with theoretical guarantees of convergence to the desired diffusion path. The framework is extended to handle heavy-tailed target distributions using Student's t-based noise models and tailored fast-process dynamics. Empirical results across synthetic and real-world benchmarks, including multimodal and high-dimensional distributions, demonstrate that the proposed methods are competitive with existing samplers in terms of accuracy and efficiency, without the need for learned models.

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.

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.

Many platforms on the web present ranked lists of content to users, typically optimized for engagement-, satisfaction- or retention- driven metrics. Advances in the Learning-to-Rank (LTR) research literature have enabled rapid growth in this application area. Several popular interfaces now include nested lists, where users can enter a 2nd-level feed via any given 1st-level item. Naturally, this has implications for evaluation metrics, objective functions, and the ranking policies we wish to learn. We propose a theoretically grounded method to incorporate 2nd-level feedback into any 1st-level ranking model. Online experiments on a large-scale recommendation system confirm our theoretical findings.

Gradient-based optimization has been critical to the success of machine learning, updating a single set of parameters to minimize a single loss. A growing number of applications rely on a generalization of this, where we have a bilevel or nested optimization of which subsets of parameters update on different objectives nested inside each other. We focus on motivating examples of hyperparameter optimization and generative adversarial networks. However, naively applying classical methods often fails when we look at solving these nested problems on a large scale. In this thesis, we build tools for nested optimization that scale to deep learning setups.

Synthesizing inductive loop invariants is fundamental to automating program verification. In this work, we observe that Large Language Models (such as gpt-3.5 or gpt-4) are capable of synthesizing loop invariants for a class of programs in a 0-shot setting, yet require several samples to generate the correct invariants. This can lead to a large number of calls to a program verifier to establish an invariant. To address this issue, we propose a {\it re-ranking} approach for the generated results of LLMs. We have designed a ranker that can distinguish between correct inductive invariants and incorrect attempts based on the problem definition. The ranker is optimized as a contrastive ranker. Experimental results demonstrate that this re-ranking mechanism significantly improves the ranking of correct invariants among the generated candidates, leading to a notable reduction in the number of calls to a verifier.

While polyhedral compilers have shown success in implementing advanced code transformations, they still face challenges in selecting the ones that lead to the most profitable speedups. This has motivated the use of machine learning based cost models to guide the search for polyhedral optimizations. State-of-the-art polyhedral compilers have demonstrated a viable proof-of-concept of such an approach. While promising, this approach still faces significant limitations. State-of-the-art polyhedral compilers that use a deep learning cost model only support a small subset of affine transformations, limiting their ability to explore complex code transformations. Furthermore, their applicability does not scale beyond simple programs, thus excluding many program classes from their scope, such as those with non-rectangular iteration domains or multiple loop nests. These limitations significantly impact the generality of such compilers and autoschedulers and put into question the whole approach. In this paper, we introduce LOOPer, the first polyhedral autoscheduler that uses a deep learning based cost model and covers a large space of affine transformations and programs. LOOPer allows the optimization of an extensive set of programs while being effective at applying complex sequences of polyhedral transformations. We implement and evaluate LOOPer and show that it achieves competitive speedups over the state-of-the-art. On the PolyBench benchmarks, LOOPer achieves a geometric mean speedup of 1.84x over Tiramisu and 1.42x over Pluto, two state-of-the-art polyhedral autoschedulers.

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.

Large Language Models (LLMs) are powerful but often too slow and costly for real-world use during inference. Looped transformers save on parameters by reusing the same weights for multiple computational steps, or "loops." However, this approach has a major flaw: the loops run one after another, causing inference latency and memory requirements to increase with each added loop. This makes them impractical for fast applications. To solve this problem, we introduce the Parallel Loop Transformer (PLT). PLT is a new architecture that delivers the performance benefits of a deep, looped model but with the low latency of a standard, non-looped model. PLT works using two key techniques. First, Cross-Loop Parallelism (CLP) breaks the sequential dependency by computing different loops for different tokens at the same time, all within a single pass. Second, to prevent memory costs from growing, we use an Efficient Representation Enhancement strategy. This method shares the memory (KV cache) from the first loop with all other loops. It then uses a Gated Sliding-Window Attention (G-SWA) to combine this shared global information with local information, maintaining high accuracy. Our experiments show that PLT achieves the high accuracy of a traditional looped model but with almost no extra latency or memory cost compared to a standard transformer.

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.

The estimation of repeatedly nested expectations is a challenging task that arises in many real-world systems. However, existing methods generally suffer from high computational costs when the number of nestings becomes large. Fix any non-negative integer D for the total number of nestings. Standard Monte Carlo methods typically cost at least O(varepsilon^{-(2+D)}) and sometimes O(varepsilon^{-2(1+D)}) to obtain an estimator up to varepsilon-error. More advanced methods, such as multilevel Monte Carlo, currently only exist for D = 1. In this paper, we propose a novel Monte Carlo estimator called READ, which stands for "Recursive Estimator for Arbitrary Depth.'' Our estimator has an optimal computational cost of O(varepsilon^{-2}) for every fixed D under suitable assumptions, and a nearly optimal computational cost of O(varepsilon^{-2(1 + delta)}) for any 0 < delta < frac12 under much more general assumptions. Our estimator is also unbiased, which makes it easy to parallelize. The key ingredients in our construction are an observation of the problem's recursive structure and the recursive use of the randomized multilevel Monte Carlo method.

Deep Learning architectures, and in particular Transformers, are conventionally viewed as a composition of layers. These layers are actually often obtained as the sum of two contributions: a residual path that copies the input and the output of a Transformer block. As a consequence, the inner representations (i.e. the input of these blocks) can be interpreted as iterative refinement of a propagated latent representation. Under this lens, many works suggest that the inner space is shared across layers, meaning that tokens can be decoded at early stages. Mechanistic interpretability even goes further by conjecturing that some layers act as refinement layers. Following this path, we propose inference-time inner looping, which prolongs refinement in pretrained off-the-shelf language models by repeatedly re-applying a selected block range. Across multiple benchmarks, inner looping yields modest but consistent accuracy improvements. Analyses of the resulting latent trajectories suggest more stable state evolution and continued semantic refinement. Overall, our results suggest that additional refinement can be obtained through simple test-time looping, extending computation in frozen pretrained models.

With the advent of large language models (LLMs) like GPT-3, a natural question is the extent to which these models can be utilized for source code optimization. This paper presents methodologically stringent case studies applied to well-known open source python libraries pillow and numpy. We find that contemporary LLM ChatGPT-4 (state September and October 2023) is surprisingly adept at optimizing energy and compute efficiency. However, this is only the case in interactive use, with a human expert in the loop. Aware of experimenter bias, we document our qualitative approach in detail, and provide transcript and source code. We start by providing a detailed description of our approach in conversing with the LLM to optimize the _getextrema function in the pillow library, and a quantitative evaluation of the performance improvement. To demonstrate qualitative replicability, we report further attempts on another locus in the pillow library, and one code locus in the numpy library, to demonstrate generalization within and beyond a library. In all attempts, the performance improvement is significant (factor up to 38). We have also not omitted reporting of failed attempts (there were none). We conclude that LLMs are a promising tool for code optimization in open source libraries, but that the human expert in the loop is essential for success. Nonetheless, we were surprised by how few iterations were required to achieve substantial performance improvements that were not obvious to the expert in the loop. We would like bring attention to the qualitative nature of this study, more robust quantitative studies would need to introduce a layer of selecting experts in a representative sample -- we invite the community to collaborate.

Large language models (LLMs) combined with tool learning have gained impressive results in real-world applications. During tool learning, LLMs may call multiple tools in nested orders, where the latter tool call may take the former response as its input parameters. However, current research on the nested tool learning capabilities is still under-explored, since the existing benchmarks lack of relevant data instances. To address this problem, we introduce NesTools to bridge the current gap in comprehensive nested tool learning evaluations. NesTools comprises a novel automatic data generation method to construct large-scale nested tool calls with different nesting structures. With manual review and refinement, the dataset is in high quality and closely aligned with real-world scenarios. Therefore, NesTools can serve as a new benchmark to evaluate the nested tool learning abilities of LLMs. We conduct extensive experiments on 22 LLMs, and provide in-depth analyses with NesTools, which shows that current LLMs still suffer from the complex nested tool learning task.

Derived datasets can be defined implicitly or explicitly. An implicit definition (of dataset O in terms of datasets I) is a logical specification involving the source data I and the interface data O. It is a valid definition of O in terms of I, if any two models of the specification agreeing on I agree on O. In contrast, an explicit definition is a query that produces O from I. Variants of Beth's theorem state that one can convert implicit definitions to explicit ones. Further, this conversion can be done effectively given a proof witnessing implicit definability in a suitable proof system. We prove the analogous effective implicit-to-explicit result for nested relations: implicit definitions, given in the natural logic for nested relations, can be effectively converted to explicit definitions in the nested relational calculus NRC. As a consequence, we can effectively extract rewritings of NRC queries in terms of NRC views, given a proof witnessing that the query is determined by the views.

This is a brief description of a project that has already autoformalized a large portion of the general topology from the Munkres textbook (which has in total 241 pages in 7 chapters and 39 sections). The project has been running since November 21, 2025 and has as of January 4, 2026, produced 160k lines of formalized topology. Most of it (about 130k lines) have been done in two weeks,from December 22 to January 4, for an LLM subscription cost of about \$100. This includes a 3k-line proof of Urysohn's lemma, a 2k-line proof of Urysohn's Metrization theorem, over 10k-line proof of the Tietze extension theorem, and many more (in total over 1.5k lemmas/theorems). The approach is quite simple and cheap: build a long-running feedback loop between an LLM and a reasonably fast proof checker equipped with a core foundational library. The LLM is now instantiated as ChatGPT (mostly 5.2) or Claude Sonnet (4.5) run through the respective Codex or Claude Code command line interfaces. The proof checker is Chad Brown's higher-order set theory system Megalodon, and the core library is Brown's formalization of basic set theory and surreal numbers (including reals, etc). The rest is some prompt engineering and technical choices which we describe here. Based on the fast progress, low cost, virtually unknown ITP/library, and the simple setup available to everyone, we believe that (auto)formalization may become quite easy and ubiquitous in 2026, regardless of which proof assistant is used.

Machine learning models are often tuned by nesting optimization of model weights inside the optimization of hyperparameters. We give a method to collapse this nested optimization into joint stochastic optimization of weights and hyperparameters. Our process trains a neural network to output approximately optimal weights as a function of hyperparameters. We show that our technique converges to locally optimal weights and hyperparameters for sufficiently large hypernetworks. We compare this method to standard hyperparameter optimization strategies and demonstrate its effectiveness for tuning thousands of hyperparameters.

Context: The software maintenance phase involves many activities such as code refactoring, bug fixing, code review or testing. Program comprehension is key to all these activities, as it demands developers to grasp the knowledge (e.g., implementation details) required to modify the codebase. Methods as main building blocks in a program can offer developers this knowledge source for code comprehension. However, reading entire method statements can be challenging, which necessitates precise and up-to-date comments. Objective: We propose a solution as an IntelliJ IDEA plugin, named SmartDoc, that assists developers in generating context-aware method comments. Method: This plugin acts as an Artificial Intelligence (AI) agent that has its own memory and is augmented by target methods' context. When a request is initiated by the end-user, the method content and all its nested method calls are used in the comment generation. At the beginning, these nested methods are visited and a call graph is generated. This graph is then traversed using depth-first search (DFS), enabling the provision of full-context to enrich Large Language Model (LLM) prompts. Result: The product is a software, as a plugin, developed for Java codebase and installable on IntelliJ IDEA. This plugin can serve concurrently for methods whose comments are being updated , and it shares memory across all flows to avoid redundant calls. o measure the accuracy of this solution, a dedicated test case is run to record SmartDoc generated comments and their corresponding ground truth. For each collected result-set, three metrics are computed, BERTScore, BLEU and ROUGE-1. These metrics will determine how accurate the generated comments are in comparison to the ground truth. Result: The obtained accuracy, in terms of the precision, recall and F1, is promising, and lies in the range of 0.80 to 0.90 for BERTScore.

Despite the recent progresses, particularly in developing Language Models, there are fundamental challenges and unanswered questions about how such models can continually learn/memorize, self-improve, and find effective solutions. In this paper, we present a new learning paradigm, called Nested Learning (NL), that coherently represents a machine learning model with a set of nested, multi-level, and/or parallel optimization problems, each of which with its own context flow. Through the lenses of NL, existing deep learning methods learns from data through compressing their own context flow, and in-context learning naturally emerges in large models. NL suggests a philosophy to design more expressive learning algorithms with more levels, resulting in higher-order in-context learning and potentially unlocking effective continual learning capabilities. We advocate for NL by presenting three core contributions: (1) Expressive Optimizers: We show that known gradient-based optimizers, such as Adam, SGD with Momentum, etc., are in fact associative memory modules that aim to compress the gradients' information (by gradient descent). Building on this insight, we present other more expressive optimizers with deep memory and/or more powerful learning rules; (2) Self-Modifying Learning Module: Taking advantage of NL's insights on learning algorithms, we present a sequence model that learns how to modify itself by learning its own update algorithm; and (3) Continuum Memory System: We present a new formulation for memory system that generalizes the traditional viewpoint of long/short-term memory. Combining our self-modifying sequence model with the continuum memory system, we present a continual learning module, called Hope, showing promising results in language modeling, knowledge incorporation, and few-shot generalization tasks, continual learning, and long-context reasoning tasks.

In SPARQL, the query forms SELECT and CONSTRUCT have been the subject of several studies, both theoretical and practical. However, the composition of such queries and their interweaving when forming involved nested queries has not yet received much interest in the literature. We mainly tackle the problem of composing such queries. For this purpose, we introduce a language close to SPARQL where queries can be nested at will, involving either CONSTRUCT or SELECT query forms and provide a formal semantics for it. This semantics is based on a uniform interpretation of queries. This uniformity is due to an extension of the notion of RDF graphs to include isolated items such as variables. As a key feature of this work, we show how classical SELECT queries can be easily encoded as a particular case of CONSTRUCT queries.

Among the hardest tasks for humans are those found in competitive programming where problems require sophisticated algorithmic thinking, puzzle solving, and the creation of effective code. As a domain to assess language models (LMs), it has not received enough attention, though. This study presents the ICPC benchmark, which consists of 254 international collegiate programming contest (ICPC) tasks. Each problem includes official analysis, reference code, and sample, high-quality unit, and hidden tests. We are able to develop and evaluate a variety of LM inference techniques for competitive programming with these resources. With zero-shot chain-of-thought prompting, we find that o1 only achieves a 19.1\% pass@1 solve rate. With our best inference technique, which combines multi-turn self-judge with reflection and retrieval over episodic information, raises this to 42.2\%. Furthermore, we conduct a new human-in-the-loop investigation to gain a deeper understanding of the remaining difficulties. Surprisingly, we discover that o1 can solve 17 out of 18 problems that were previously unsolvable by any model or technique with just a few specific instructions. A footstep toward LMs with grounded, imaginative, and algorithmic thinking is provided by our quantitative findings and qualitative research. We open-source our code and data at https://github.com/kraritt/zolve.

Intermediate reasoning or acting steps have successfully improved large language models (LLMs) for handling various downstream natural language processing (NLP) tasks. When applying LLMs for code generation, recent works mainly focus on directing the models to articulate intermediate natural-language reasoning steps, as in chain-of-thought (CoT) prompting, and then output code with the natural language or other structured intermediate steps. However, such output is not suitable for code translation or generation tasks since the standard CoT has different logical structures and forms of expression with the code. In this work, we introduce the universal code (UniCode) as the intermediate representation. It is a description of algorithm steps using a mix of conventions of programming languages, such as assignment operator, conditional operator, and loop. Hence, we collect an instruction dataset UniCoder-Instruct to train our model UniCoder on multi-task learning objectives. UniCoder-Instruct comprises natural-language questions, code solutions, and the corresponding universal code. The alignment between the intermediate universal code representation and the final code solution significantly improves the quality of the generated code. The experimental results demonstrate that UniCoder with the universal code significantly outperforms the previous prompting methods by a large margin, showcasing the effectiveness of the structural clues in pseudo-code.

Looped language models (LoopLMs) perform iterative latent computation to refine internal representations, offering a promising alternative to explicit chain-of-thought (CoT) reasoning. However, existing reinforcement learning (RL) paradigms primarily target output tokens, creating a structural mismatch with looped architectures whose reasoning unfolds implicitly. In this work, we propose LoopRPT, a reinforcement pre-training framework tailored for LoopLMs. By reframing next-token prediction as a next-token reasoning task, LoopRPT assigns reinforcement signals directly to latent steps using an EMA teacher reference and noisy latent rollouts. This formulation enables RL to directly shape intermediate representations, compressing effective reasoning into fewer iterations. We instantiate LoopRPT on the Ouro architecture across multiple model scales. Results demonstrate that LoopRPT consistently improves per-step representation quality, achieving Pareto dominance in accuracy-computation trade-offs. Notably, significant gains on hard tokens indicate that LoopRPT enhances early-stage reasoning rather than merely encouraging premature exits. Our findings highlight reinforcement pre-training as a principled paradigm for learning efficient latent reasoning in LoopLMs.

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.

Advanced compiler technology is crucial for enabling machine learning applications to run on novel hardware, but traditional compilers fail to deliver performance, popular auto-tuners have long search times and expert-optimized libraries introduce unsustainable costs. To address this, we developed LoopTune, a deep reinforcement learning compiler that optimizes tensor computations in deep learning models for the CPU. LoopTune optimizes tensor traversal order while using the ultra-fast lightweight code generator LoopNest to perform hardware-specific optimizations. With a novel graph-based representation and action space, LoopTune speeds up LoopNest by 3.2x, generating an order of magnitude faster code than TVM, 2.8x faster than MetaSchedule, and 1.08x faster than AutoTVM, consistently performing at the level of the hand-tuned library Numpy. Moreover, LoopTune tunes code in order of seconds.

We present a framework for using transformer networks as universal computers by programming them with specific weights and placing them in a loop. Our input sequence acts as a punchcard, consisting of instructions and memory for data read/writes. We demonstrate that a constant number of encoder layers can emulate basic computing blocks, including embedding edit operations, non-linear functions, function calls, program counters, and conditional branches. Using these building blocks, we emulate a small instruction-set computer. This allows us to map iterative algorithms to programs that can be executed by a looped, 13-layer transformer. We show how this transformer, instructed by its input, can emulate a basic calculator, a basic linear algebra library, and in-context learning algorithms that employ backpropagation. Our work highlights the versatility of the attention mechanism, and demonstrates that even shallow transformers can execute full-fledged, general-purpose programs.

This is the third paper of the CayleyPy project applying artificial intelligence to problems in group theory. We announce the first public release of CayleyPy, an open source Python library for computations with Cayley and Schreier graphs. Compared with systems such as GAP and Sage, CayleyPy handles much larger graphs and performs several orders of magnitude faster. Using CayleyPy we obtained about 200 new conjectures on Cayley and Schreier graphs, focused on diameters and growth. For many Cayley graphs of symmetric groups Sn we observe quasi polynomial diameter formulas: a small set of quadratic or linear polynomials indexed by n mod s. We conjecture that this is a general phenomenon, giving efficient diameter computation despite the problem being NP hard. We propose a refinement of the Babai type conjecture on diameters of Sn: n^2/2 + 4n upper bounds in the undirected case, compared to previous O(n^2) bounds. We also provide explicit generator families, related to involutions in a square with whiskers pattern, conjectured to maximize the diameter; search confirms this for all n up to 15. We further conjecture an answer to a question posed by V M Glushkov in 1968 on directed Cayley graphs generated by a cyclic shift and a transposition. For nilpotent groups we conjecture an improvement of J S Ellenberg's results on upper unitriangular matrices over Z/pZ, showing linear dependence of diameter on p. Moreover. Some conjectures are LLM friendly, naturally stated as sorting problems verifiable by algorithms or Python code. To benchmark path finding we created more than 10 Kaggle datasets. CayleyPy works with arbitrary permutation or matrix groups and includes over 100 predefined generators. Our growth computation code outperforms GAP and Sage up to 1000 times in speed and size.

Autonomous agent applications powered by large language models (LLMs) have recently risen to prominence as effective tools for addressing complex real-world tasks. At their core, agentic workflows rely on LLMs to plan and execute the use of tools and external Application Programming Interfaces (APIs) in sequence to arrive at the answer to a user's request. Various benchmarks and leaderboards have emerged to evaluate an LLM's capabilities for tool and API use; however, most of these evaluations only track single or multiple isolated API calling capabilities. In this paper, we present NESTFUL, a benchmark to evaluate LLMs on nested sequences of API calls, i.e., sequences where the output of one API call is passed as input to a subsequent call. NESTFUL has a total of 300 human annotated samples divided into two types - executable and non-executable. The executable samples are curated manually by crawling Rapid-APIs whereas the non-executable samples are hand picked by human annotators from data synthetically generated using an LLM. We evaluate state-of-the-art LLMs with function calling abilities on NESTFUL. Our results show that most models do not perform well on nested APIs in NESTFUL as compared to their performance on the simpler problem settings available in existing benchmarks.

Automata learning is a popular technique used to automatically construct an automaton model from queries. Much research went into devising ad hoc adaptations of algorithms for different types of automata. The CALF project seeks to unify these using category theory in order to ease correctness proofs and guide the design of new algorithms. In this paper, we extend CALF to cover learning of algebraic structures that may not have a coalgebraic presentation. Furthermore, we provide a detailed algorithmic account of an abstract version of the popular L* algorithm, which was missing from CALF. We instantiate the abstract theory to a large class of Set functors, by which we recover for the first time practical tree automata learning algorithms from an abstract framework and at the same time obtain new algorithms to learn algebras of quotiented polynomial functors.

DisCoPy is a Python toolkit for computing with monoidal categories. It comes with two flexible data structures for string diagrams: the first one for planar monoidal categories based on lists of layers, the second one for symmetric monoidal categories based on cospans of hypergraphs. Algorithms for functor application then allow to translate string diagrams into code for numerical computation, be it differentiable, probabilistic or quantum. This report gives an overview of the library and the new developments released in its version 1.0. In particular, we showcase the implementation of diagram equality for a large fragment of the hierarchy of graphical languages for monoidal categories, as well as a new syntax for defining string diagrams as Python functions.

Neural networks are sensitive to hyper-parameter and architecture choices. Automated Machine Learning (AutoML) is a promising paradigm for automating these choices. Current ML software libraries, however, are quite limited in handling the dynamic interactions among the components of AutoML. For example, efficientNAS algorithms, such as ENAS and DARTS, typically require an implementation coupling between the search space and search algorithm, the two key components in AutoML. Furthermore, implementing a complex search flow, such as searching architectures within a loop of searching hardware configurations, is difficult. To summarize, changing the search space, search algorithm, or search flow in current ML libraries usually requires a significant change in the program logic. In this paper, we introduce a new way of programming AutoML based on symbolic programming. Under this paradigm, ML programs are mutable, thus can be manipulated easily by another program. As a result, AutoML can be reformulated as an automated process of symbolic manipulation. With this formulation, we decouple the triangle of the search algorithm, the search space and the child program. This decoupling makes it easy to change the search space and search algorithm (without and with weight sharing), as well as to add search capabilities to existing code and implement complex search flows. We then introduce PyGlove, a new Python library that implements this paradigm. Through case studies on ImageNet and NAS-Bench-101, we show that with PyGlove users can easily convert a static program into a search space, quickly iterate on the search spaces and search algorithms, and craft complex search flows to achieve better results.

Ever since the original algorithm by Nesterov (1983), the true nature of the acceleration phenomenon has remained elusive, with various interpretations of why the method is actually faster. The diagnosis of the algorithm through the lens of Ordinary Differential Equations (ODEs) and the corresponding dynamical system formulation to explain the underlying dynamics has a rich history. In the literature, the ODEs that explain algorithms are typically derived by considering the limiting case of the algorithm maps themselves, that is, an ODE formulation follows the development of an algorithm. This obfuscates the underlying higher order principles and thus provides little evidence of the working of the algorithm. Such has been the case with Nesterov algorithm and the various analogies used to describe the acceleration phenomena, viz, momentum associated with the rolling of a Heavy-Ball down a slope, Hessian damping etc. The main focus of our work is to ideate the genesis of the Nesterov algorithm from the viewpoint of dynamical systems leading to demystifying the mathematical rigour behind the algorithm. Instead of reverse engineering ODEs from discrete algorithms, this work explores tools from the recently developed control paradigm titled Passivity and Immersion approach and the Geometric Singular Perturbation theory which are applied to arrive at the formulation of a dynamical system that explains and models the acceleration phenomena. This perspective helps to gain insights into the various terms present and the sequence of steps used in Nesterovs accelerated algorithm for the smooth strongly convex and the convex case. The framework can also be extended to derive the acceleration achieved using the triple momentum method and provides justifications for the non-convergence to the optimal solution in the Heavy-Ball method.

This thesis introduces quantum natural language processing (QNLP) models based on a simple yet powerful analogy between computational linguistics and quantum mechanics: grammar as entanglement. The grammatical structure of text and sentences connects the meaning of words in the same way that entanglement structure connects the states of quantum systems. Category theory allows to make this language-to-qubit analogy formal: it is a monoidal functor from grammar to vector spaces. We turn this abstract analogy into a concrete algorithm that translates the grammatical structure onto the architecture of parameterised quantum circuits. We then use a hybrid classical-quantum algorithm to train the model so that evaluating the circuits computes the meaning of sentences in data-driven tasks. The implementation of QNLP models motivated the development of DisCoPy (Distributional Compositional Python), the toolkit for applied category theory of which the first chapter gives a comprehensive overview. String diagrams are the core data structure of DisCoPy, they allow to reason about computation at a high level of abstraction. We show how they can encode both grammatical structures and quantum circuits, but also logical formulae, neural networks or arbitrary Python code. Monoidal functors allow to translate these abstract diagrams into concrete computation, interfacing with optimised task-specific libraries. The second chapter uses DisCopy to implement QNLP models as parameterised functors from grammar to quantum circuits. It gives a first proof-of-concept for the more general concept of functorial learning: generalising machine learning from functions to functors by learning from diagram-like data. In order to learn optimal functor parameters via gradient descent, we introduce the notion of diagrammatic differentiation: a graphical calculus for computing the gradients of parameterised diagrams.

Consider the following process: Take any four-digit number which has at least two distinct digits. Then, rearrange the digits of the original number in ascending and descending order, take these two numbers, and find the difference between the two. Finally, repeat this routine using the difference as the new four-digit number. In 1949, D. R. Kaprekar became the first to discover that this process, known as the Kaprekar Routine, would always yield 6174 within 7 iterations. Since this number remains unchanged after an application of the Kaprekar Routine, it became known as Kaprekar's Constant. Previous works have shown that the only base 10 Kaprekar's Constants are 495 and 6174, the 3-digit and 4-digit case. However, little attention has been given to other bases or determining which digit cases and which bases have a Kaprekar's Constant. This paper analyzes the behavior of the Kaprekar Routine in the 3-digit case, deriving an expression for all 3-digit Kaprekar Constants. In addition, the author developed a series of C++ programs to analyze the paths integers followed to their respective Kaprekar's Constant. Surprisingly, it was determined from this program that the most commonly required number of iterations required to reach Kaprekar's Constant for 3-digit integers was consistently 3, regardless of base. When loaded as a matrix, the iteration requirement data demonstrates a precise recurring relationship reminiscent of Pascal's Triangle.

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.

Algorithmic reasoning refers to the ability to understand the complex patterns behind the problem and decompose them into a sequence of reasoning steps towards the solution. Such nature of algorithmic reasoning makes it a challenge for large language models (LLMs), even though they have demonstrated promising performance in other reasoning tasks. Within this context, some recent studies use programming languages (e.g., Python) to express the necessary logic for solving a given instance/question (e.g., Program-of-Thought) as inspired by their strict and precise syntaxes. However, it is non-trivial to write an executable code that expresses the correct logic on the fly within a single inference call. Also, the code generated specifically for an instance cannot be reused for others, even if they are from the same task and might require identical logic to solve. This paper presents Think-and-Execute, a novel framework that decomposes the reasoning process of language models into two steps. (1) In Think, we discover a task-level logic that is shared across all instances for solving a given task and then express the logic with pseudocode; (2) In Execute, we further tailor the generated pseudocode to each instance and simulate the execution of the code. With extensive experiments on seven algorithmic reasoning tasks, we demonstrate the effectiveness of Think-and-Execute. Our approach better improves LMs' reasoning compared to several strong baselines performing instance-specific reasoning (e.g., CoT and PoT), suggesting the helpfulness of discovering task-level logic. Also, we show that compared to natural language, pseudocode can better guide the reasoning of LMs, even though they are trained to follow natural language instructions.

The training and deployment of large language models (LLMs) create a feedback loop with human users: models learn human beliefs from data, reinforce these beliefs with generated content, reabsorb the reinforced beliefs, and feed them back to users again and again. This dynamic resembles an echo chamber. We hypothesize that this feedback loop entrenches the existing values and beliefs of users, leading to a loss of diversity and potentially the lock-in of false beliefs. We formalize this hypothesis and test it empirically with agent-based LLM simulations and real-world GPT usage data. Analysis reveals sudden but sustained drops in diversity after the release of new GPT iterations, consistent with the hypothesized human-AI feedback loop. Code and data available at https://thelockinhypothesis.com

Program synthesis with language models (LMs) has unlocked a large set of reasoning abilities; code-tuned LMs have proven adept at generating programs that solve a wide variety of algorithmic symbolic manipulation tasks (e.g. word concatenation). However, not all reasoning tasks are easily expressible as code, e.g. tasks involving commonsense reasoning, moral decision-making, and sarcasm understanding. Our goal is to extend an LM's program synthesis skills to such tasks and evaluate the results via pseudo-programs, namely Python programs where some leaf function calls are left undefined. To that end, we propose, Code Generation and Emulated EXecution (CoGEX). CoGEX works by (1) training LMs to generate their own pseudo-programs, (2) teaching them to emulate their generated program's execution, including those leaf functions, allowing the LM's knowledge to fill in the execution gaps; and (3) using them to search over many programs to find an optimal one. To adapt the CoGEX model to a new task, we introduce a method for performing program search to find a single program whose pseudo-execution yields optimal performance when applied to all the instances of a given dataset. We show that our approach yields large improvements compared to standard in-context learning approaches on a battery of tasks, both algorithmic and soft reasoning. This result thus demonstrates that code synthesis can be applied to a much broader class of problems than previously considered. Our released dataset, fine-tuned models, and implementation can be found at https://github.com/nweir127/CoGEX.

Looped Language Models (LoopLMs) perform multi-step latent reasoning prior to token generation and outperform conventional LLMs on reasoning benchmarks at smaller parameter budgets. However, attempts to further improve LoopLM reasoning with reinforcement learning have failed - standard objectives such as Group Relative Policy Optimization (GRPO) only assign credit to the final latent state, creating a fundamental mismatch with the model's internal computation. To resolve this, we introduce RLTT (Reward Latent Thought Trajectories), a reinforcement learning framework which distributes reward across the full latent reasoning trajectory. RLTT provides dense, trajectory-level credit assignment without relying on external verifiers and can directly replace GRPO with negligible overhead. Across extensive experiments with Ouro-2.6B-Thinking under identical training and inference conditions, RLTT yields substantial improvements over GRPO on challenging mathematical reasoning benchmarks, improving accuracy by +14.4% on MATH-500, +16.6% on AIME24, and +10.0% on BeyondAIME. Despite being trained exclusively on mathematics, RLTT also transfers effectively to non-mathematical reasoning benchmarks, demonstrating the effectiveness of trajectory-level credit assignment for reinforcement learning in LoopLMs.

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.

Looped Transformers have shown exceptional neural algorithmic reasoning capability in simulating traditional graph algorithms, but their application to more complex structures like hypergraphs remains underexplored. Hypergraphs generalize graphs by modeling higher-order relationships among multiple entities, enabling richer representations but introducing significant computational challenges. In this work, we extend the Loop Transformer architecture's neural algorithmic reasoning capability to simulate hypergraph algorithms, addressing the gap between neural networks and combinatorial optimization over hypergraphs. Specifically, we propose a novel degradation mechanism for reducing hypergraphs to graph representations, enabling the simulation of graph-based algorithms, such as Dijkstra's shortest path. Furthermore, we introduce a hyperedge-aware encoding scheme to simulate hypergraph-specific algorithms, exemplified by Helly's algorithm. We establish theoretical guarantees for these simulations, demonstrating the feasibility of processing high-dimensional and combinatorial data using Loop Transformers. This work highlights the potential of Transformers as general-purpose algorithmic solvers for structured data.

A universal word (u-word) for d-dimensional permutations of length n is a 2-dimensional word with d-1 rows, any size n window of which is order-isomorphic to exactly one permutation of length n, and all permutations of length n are covered. It is known that u-words (in fact, even u-cycles, a stronger claim) for d-dimensional permutations exist. In this paper, we use the idea of incomparable elements to prove that u-words of length (n!)^{d-1}+n-1-i(n-1), for dgeq 2 and $0leq ileq 2^{d-1}{n-1}left[(1+(n-1)!)^{d-1}-left(1+(n-1)!{2}right)^{d-1}right], for d-dimensional permutations of length n exist, which generalizes the respective result of Kitaev, Potapov and Vajnovszki for ``usual'' permutations (d=2$).

Code generation benchmarks such as HumanEval are widely adopted to evaluate LLMs' capabilities. However, after consolidating the latest 24 benchmarks, we noticed three significant imbalances. First, imbalanced programming language. 95.8% of benchmarks involve Python, while only 5 benchmarks involve Java. Second, imbalanced code granularity. Function-/statement-level benchmarks account for over 83.3% of benchmarks. Only a mere handful extends to class-/project-levels, and all are limited to Python. Third, lacking advanced features. Existing benchmarks primarily assess basic coding skills, while overlooking advanced Object-Oriented Programming (OOP) features (i.e., encapsulation, inheritance, and polymorphism). To fill these gaps, we propose JavaBench, a project-level Java benchmark that exercises OOP features. It comprises four Java projects with 389 methods in 106 Java classes. The test coverage is up to 92%, and JavaBench is attested by 282 undergraduate students, reaching a 90.93/100 average score (i.e., pass rate against the test suite), ensuring the quality of documentation, code skeleton, and tests. To better evaluate LLM's capability against JavaBench, we introduce a systematic evaluation design covering three context settings and five synthesis strategies at two granularities using three hierarchical metrics. Our extensive experiment yields several interesting findings. First, we noticed that regarding project-level Java programming, LLMs are far behind undergraduate students (no project can be correctly completed by any studied LLMs, and at most 41.17% Pass@5 in a more relaxed evaluation). Second, using method signature as prompt context may strike an ideal balance for project-level code generation. JavaBench is publicly available at https://github.com/java-bench/JavaBench.

Modern LLMs are trained to "think" primarily via explicit text generation, such as chain-of-thought (CoT), which defers reasoning to post-training and under-leverages pre-training data. We present and open-source Ouro, named after the recursive Ouroboros, a family of pre-trained Looped Language Models (LoopLM) that instead build reasoning into the pre-training phase through (i) iterative computation in latent space, (ii) an entropy-regularized objective for learned depth allocation, and (iii) scaling to 7.7T tokens. Ouro 1.4B and 2.6B models enjoy superior performance that match the results of up to 12B SOTA LLMs across a wide range of benchmarks. Through controlled experiments, we show this advantage stems not from increased knowledge capacity, but from superior knowledge manipulation capabilities. We also show that LoopLM yields reasoning traces more aligned with final outputs than explicit CoT. We hope our results show the potential of LoopLM as a novel scaling direction in the reasoning era. Our model could be found in: http://ouro-llm.github.io.

Looped Transformers have emerged as an efficient and powerful class of models for reasoning in the language domain. Recent studies show that these models achieve strong performance on algorithmic and reasoning tasks, suggesting that looped architectures possess an inductive bias toward latent reasoning. However, prior approaches fix the number of loop iterations during training and inference, leaving open the question of whether these models can flexibly adapt their computational depth under variable compute budgets. We introduce LoopFormer, a looped Transformer trained on variable-length trajectories to enable budget-conditioned reasoning. Our core contribution is a shortcut-consistency training scheme that aligns trajectories of different lengths, ensuring that shorter loops yield informative representations while longer loops continue to refine them. LoopFormer conditions each loop on the current time and step size, enabling representations to evolve consistently across trajectories of varying length rather than drifting or stagnating. Empirically, LoopFormer demonstrates robust performance on language modeling and reasoning benchmarks even under aggressive compute constraints, while scaling gracefully with additional budget. These results show that looped Transformers are inherently suited for adaptive language modeling, opening a path toward controllable and budget-aware large language models.

We introduce Reverse Derivative Ascent: a categorical analogue of gradient based methods for machine learning. Our algorithm is defined at the level of so-called reverse differential categories. It can be used to learn the parameters of models which are expressed as morphisms of such categories. Our motivating example is boolean circuits: we show how our algorithm can be applied to such circuits by using the theory of reverse differential categories. Note our methodology allows us to learn the parameters of boolean circuits directly, in contrast to existing binarised neural network approaches. Moreover, we demonstrate its empirical value by giving experimental results on benchmark machine learning datasets.

In an unpublished preprint batanin, Batanin conjectures that it is possible to take `slices' of a globular operad, thereby isolating the algebraic structure in each dimension. It was further hypothesised that the slices of a globular operad for some theory of higher category contain essential information about those higher categories, namely whether or not they are equivalent to the fully weak variety. In this paper, we use the theory of presentations for globular operads developed in Me to provide a concrete definition of slices, and calculate the slices for several key theories of n-category.

With the advent of neural language models, the performance of code generation has been significantly boosted. However, the problem of repetitions during the generation process continues to linger. Previous work has primarily focused on content repetition, which is merely a fraction of the broader repetition problem in code generation. A more prevalent and challenging problem is structural repetition. In structural repetition, the repeated code appears in various patterns but possesses a fixed structure, which can be inherently reflected in grammar. In this paper, we formally define structural repetition and propose an efficient decoding approach called RPG, which stands for Repetition Penalization based on Grammar, to alleviate the repetition problems in code generation for LLMs. Specifically, RPG first leverages grammar rules to identify repetition problems during code generation, and then strategically decays the likelihood of critical tokens that contribute to repetitions, thereby mitigating them in code generation. To facilitate this study, we construct a new dataset CodeRepetEval to comprehensively evaluate approaches for mitigating the repetition problems in code generation. Extensive experimental results demonstrate that RPG substantially outperforms the best-performing baselines on CodeRepetEval dataset as well as HumanEval and MBPP benchmarks, effectively reducing repetitions and enhancing the quality of generated code.

Recently, large language models (LLMs) have demonstrated excellent performance in understanding human instructions and generating code, which has inspired researchers to explore the feasibility of generating RTL code with LLMs. However, the existing approaches to fine-tune LLMs on RTL codes typically are conducted on fixed datasets, which do not fully stimulate the capability of LLMs and require large amounts of reference data. To mitigate these issues , we introduce a simple yet effective iterative training paradigm named ITERTL. During each iteration, samples are drawn from the model trained in the previous cycle. Then these new samples are employed for training in this loop. Through this iterative approach, the distribution mismatch between the model and the training samples is reduced. Additionally, the model is thus enabled to explore a broader generative space and receive more comprehensive feedback. Theoretical analyses are conducted to investigate the mechanism of the effectiveness. Experimental results show the model trained through our proposed approach can compete with and even outperform the state-of-the-art (SOTA) open-source model with nearly 37\% reference samples, achieving remarkable 42.9\% and 62.2\% pass@1 rate on two VerilogEval evaluation datasets respectively. While using the same amount of reference samples, our method can achieved a relative improvement of 16.9\% and 12.5\% in pass@1 compared to the non-iterative method. This study facilitates the application of LLMs for generating RTL code in practical scenarios with limited data.

We present lambeq, the first high-level Python library for Quantum Natural Language Processing (QNLP). The open-source toolkit offers a detailed hierarchy of modules and classes implementing all stages of a pipeline for converting sentences to string diagrams, tensor networks, and quantum circuits ready to be used on a quantum computer. lambeq supports syntactic parsing, rewriting and simplification of string diagrams, ansatz creation and manipulation, as well as a number of compositional models for preparing quantum-friendly representations of sentences, employing various degrees of syntax sensitivity. We present the generic architecture and describe the most important modules in detail, demonstrating the usage with illustrative examples. Further, we test the toolkit in practice by using it to perform a number of experiments on simple NLP tasks, implementing both classical and quantum pipelines.

This article provides an introduction to surface code quantum computing. We first estimate the size and speed of a surface code quantum computer. We then introduce the concept of the stabilizer, using two qubits, and extend this concept to stabilizers acting on a two-dimensional array of physical qubits, on which we implement the surface code. We next describe how logical qubits are formed in the surface code array and give numerical estimates of their fault-tolerance. We outline how logical qubits are physically moved on the array, how qubit braid transformations are constructed, and how a braid between two logical qubits is equivalent to a controlled-NOT. We then describe the single-qubit Hadamard, S and T operators, completing the set of required gates for a universal quantum computer. We conclude by briefly discussing physical implementations of the surface code. We include a number of appendices in which we provide supplementary information to the main text.

This paper investigates the ability of transformer-based models to learn structural recursion from examples. Recursion is a universal concept in both natural and formal languages. Structural recursion is central to the programming language and formal mathematics tasks where symbolic tools currently excel beyond neural models, such as inferring semantic relations between datatypes and emulating program behavior. We introduce a general framework that nicely connects the abstract concepts of structural recursion in the programming language domain to concrete sequence modeling problems and learned models' behavior. The framework includes a representation that captures the general syntax of structural recursion, coupled with two different frameworks for understanding their semantics -- one that is more natural from a programming languages perspective and one that helps bridge that perspective with a mechanistic understanding of the underlying transformer architecture. With our framework as a powerful conceptual tool, we identify different issues under various set-ups. The models trained to emulate recursive computations cannot fully capture the recursion yet instead fit short-cut algorithms and thus cannot solve certain edge cases that are under-represented in the training distribution. In addition, it is difficult for state-of-the-art large language models (LLMs) to mine recursive rules from in-context demonstrations. Meanwhile, these LLMs fail in interesting ways when emulating reduction (step-wise computation) of the recursive function.

We present and test the largest benchmark for vericoding, LLM-generation of formally verified code from formal specifications - in contrast to vibe coding, which generates potentially buggy code from a natural language description. Our benchmark contains 12,504 formal specifications, with 3,029 in Dafny, 2,334 in Verus/Rust and 7,141 in Lean. Of these, 6,174 are new unseen problems. We find vericoding success rates of 27% in Lean, 44% in Verus/Rust and 82% in Dafny using off-the-shelf LLMs. Adding natural-language descriptions does not significantly improve performance. We also find that LLM progress has improved progress on pure Dafny verification from 68% to 96% over the past year. The benchmark and vericoding results are shared at https://github.com/Beneficial-AI-Foundation/vericoding-benchmark

In this paper, we introduce Nested Low-Rank Adaptation (NoRA), a novel approach to parameter-efficient fine-tuning that extends the capabilities of Low-Rank Adaptation (LoRA) techniques. Vanilla LoRA overlooks pre-trained weight inheritance and still requires fine-tuning numerous parameters. To addresses these issues, our NoRA adopts a dual-layer nested structure with Singular Value Decomposition (SVD), effectively leveraging original matrix knowledge while reducing tunable parameters. Specifically, NoRA freezes the outer LoRA weights and utilizes an inner LoRA design, providing enhanced control over model optimization. This approach allows the model to more precisely adapt to specific tasks while maintaining a compact parameter space. By freezing outer LoRA weights and using an inner LoRA design, NoRA enables precise task adaptation with a compact parameter space. Evaluations on tasks including commonsense reasoning with large language models, fine-tuning vision-language models, and subject-driven generation demonstrate NoRA's superiority over LoRA and its variants. Code will be released upon acceptance.

The complementarity-determining regions of antibodies are loop structures that are key to their interactions with antigens, and of high importance to the design of novel biologics. Since the 1980s, categorizing the diversity of CDR structures into canonical clusters has enabled the identification of key structural motifs of antibodies. However, existing approaches have limited coverage and cannot be readily incorporated into protein foundation models. Here we introduce ImmunoGlobulin LOOp Tokenizer, Igloo, a multimodal antibody loop tokenizer that encodes backbone dihedral angles and sequence. Igloo is trained using a contrastive learning objective to map loops with similar backbone dihedral angles closer together in latent space. Igloo can efficiently retrieve the closest matching loop structures from a structural antibody database, outperforming existing methods on identifying similar H3 loops by 5.9\%. Igloo assigns tokens to all loops, addressing the limited coverage issue of canonical clusters, while retaining the ability to recover canonical loop conformations. To demonstrate the versatility of Igloo tokens, we show that they can be incorporated into protein language models with IglooLM and IglooALM. On predicting binding affinity of heavy chain variants, IglooLM outperforms the base protein language model on 8 out of 10 antibody-antigen targets. Additionally, it is on par with existing state-of-the-art sequence-based and multimodal protein language models, performing comparably to models with 7times more parameters. IglooALM samples antibody loops which are diverse in sequence and more consistent in structure than state-of-the-art antibody inverse folding models. Igloo demonstrates the benefit of introducing multimodal tokens for antibody loops for encoding the diverse landscape of antibody loops, improving protein foundation models, and for antibody CDR design.

For a complicated algorithm, its implementation by a human programmer usually starts with outlining a rough control flow followed by iterative enrichments, eventually yielding carefully generated syntactic structures and variables in a hierarchy. However, state-of-the-art large language models generate codes in a single pass, without intermediate warm-ups to reflect the structured thought process of "outline-then-detail". Inspired by the recent success of chain-of-thought prompting, we propose ChainCoder, a program synthesis language model that generates Python code progressively, i.e. from coarse to fine in multiple passes. We first decompose source code into layout frame components and accessory components via abstract syntax tree parsing to construct a hierarchical representation. We then reform our prediction target into a multi-pass objective, each pass generates a subsequence, which is concatenated in the hierarchy. Finally, a tailored transformer architecture is leveraged to jointly encode the natural language descriptions and syntactically aligned I/O data samples. Extensive evaluations show that ChainCoder outperforms state-of-the-arts, demonstrating that our progressive generation eases the reasoning procedure and guides the language model to generate higher-quality solutions. Our codes are available at: https://github.com/VITA-Group/ChainCoder.

We explain how the simplicial higher-order unstable homotopy operations defined in [BBS2] may be composed and inserted one in another, thus forming a coherent if complicated algebraic structure.

Many problems in machine learning involve bilevel optimization (BLO), including hyperparameter optimization, meta-learning, and dataset distillation. Bilevel problems consist of two nested sub-problems, called the outer and inner problems, respectively. In practice, often at least one of these sub-problems is overparameterized. In this case, there are many ways to choose among optima that achieve equivalent objective values. Inspired by recent studies of the implicit bias induced by optimization algorithms in single-level optimization, we investigate the implicit bias of gradient-based algorithms for bilevel optimization. We delineate two standard BLO methods -- cold-start and warm-start -- and show that the converged solution or long-run behavior depends to a large degree on these and other algorithmic choices, such as the hypergradient approximation. We also show that the inner solutions obtained by warm-start BLO can encode a surprising amount of information about the outer objective, even when the outer parameters are low-dimensional. We believe that implicit bias deserves as central a role in the study of bilevel optimization as it has attained in the study of single-level neural net optimization.

Looped Transformers provide advantages in parameter efficiency, computational capabilities, and generalization for reasoning tasks. However, their expressive power regarding function approximation remains underexplored. In this paper, we establish the approximation rate of Looped Transformers by defining the modulus of continuity for sequence-to-sequence functions. This reveals a limitation specific to the looped architecture. That is, the analysis prompts the incorporation of scaling parameters for each loop, conditioned on timestep encoding. Experiments validate the theoretical results, showing that increasing the number of loops enhances performance, with further gains achieved through the timestep encoding.

The class of tree-adjoining languages can be characterized by various two-level formalisms, consisting of a context-free grammar (CFG) or pushdown automaton (PDA) controlling another CFG or PDA. These four formalisms are equivalent to tree-adjoining grammars (TAG), linear indexed grammars (LIG), pushdown-adjoining automata (PAA), and embedded pushdown automata (EPDA). We define semiring-weighted versions of the above two-level formalisms, and we design new algorithms for computing their stringsums (the weight of all derivations of a string) and allsums (the weight of all derivations). From these, we also immediately obtain stringsum and allsum algorithms for TAG, LIG, PAA, and EPDA. For LIG, our algorithm is more time-efficient by a factor of O(n|N|) (where n is the string length and |N| is the size of the nonterminal set) and more space-efficient by a factor of O(|Gamma|) (where |Gamma| is the size of the stack alphabet) than the algorithm of Vijay-Shanker and Weir (1989). For EPDA, our algorithm is both more space-efficient and time-efficient than the algorithm of Alonso et al. (2001) by factors of O(|Gamma|^2) and O(|Gamma|^3), respectively. Finally, we give the first PAA stringsum and allsum algorithms.

We address the problem of code generation from multi-turn execution feedback. Existing methods either generate code without feedback or use complex, hierarchical reinforcement learning to optimize multi-turn rewards. We propose a simple yet scalable approach, muCode, that solves multi-turn code generation using only single-step rewards. Our key insight is that code generation is a one-step recoverable MDP, where the correct code can be recovered from any intermediate code state in a single turn. muCode iteratively trains both a generator to provide code solutions conditioned on multi-turn execution feedback and a verifier to score the newly generated code. Experimental evaluations show that our approach achieves significant improvements over the state-of-the-art baselines. We provide analysis of the design choices of the reward models and policy, and show the efficacy of muCode at utilizing the execution feedback. Our code is available at https://github.com/portal-cornell/muCode.

This paper discusses about a sorting algorithm which uses the concept of buckets where each bucket represents a certain number of digits. A two dimensional data structure is used where one dimension represents buckets i. e; number of digits and each bucket's corresponding dimensions represents the input numbers that belong to that bucket. Each bucket is then individually sorted. Since every preceding bucket elements will always be smaller than the succeeding buckets no comparison between them is required. By doing this we can significantly reduced the time complexity of any sorting algorithm used to sort the given set of inputs.

We study the matrix models pi:C(S_N^+)to M_N(C(X)) which are flat, in the sense that the standard generators of C(S_N^+) are mapped to rank 1 projections. Our first result is a generalization of the Pauli matrix construction at N=4, using finite groups and 2-cocycles. Our second result is the construction of a universal representation of C(S_N^+), inspired from the Sinkhorn algorithm, that we conjecture to be inner faithful.

The advancement of machine learning for compiler optimization, particularly within the polyhedral model, is constrained by the scarcity of large-scale, public performance datasets. This data bottleneck forces researchers to undertake costly data generation campaigns, slowing down innovation and hindering reproducible research learned code optimization. To address this gap, we introduce LOOPerSet, a new public dataset containing 28 million labeled data points derived from 220,000 unique, synthetically generated polyhedral programs. Each data point maps a program and a complex sequence of semantics-preserving transformations (such as fusion, skewing, tiling, and parallelism)to a ground truth performance measurement (execution time). The scale and diversity of LOOPerSet make it a valuable resource for training and evaluating learned cost models, benchmarking new model architectures, and exploring the frontiers of automated polyhedral scheduling. The dataset is released under a permissive license to foster reproducible research and lower the barrier to entry for data-driven compiler optimization.

Any optimization algorithm programming interface can be seen as a black-box function with additional free parameters. In this spirit, simulated annealing (SA) can be implemented in pseudo-code within the dimensions of a single slide with free parameters relating to the annealing schedule. Such an implementation, however, necessarily neglects much of the structure necessary to take advantage of advances in computing resources and algorithmic breakthroughs. Simulated annealing is often introduced in myriad disciplines, from discrete examples like the Traveling Salesman Problem (TSP) to molecular cluster potential energy exploration or even explorations of a protein's configurational space. Theoretical guarantees also demand a stricter structure in terms of statistical quantities, which cannot simply be left to the user. We will introduce several standard paradigms and demonstrate how these can be "lifted" into a unified framework using object-oriented programming in Python. We demonstrate how clean, interoperable, reproducible programming libraries can be used to access and rapidly iterate on variants of Simulated Annealing in a manner which can be extended to serve as a best practices blueprint or design pattern for a data-driven optimization library.

Recent advances in visual reasoning have leveraged vision transformers to tackle the ARC-AGI benchmark. However, we argue that the feed-forward architecture, where computational depth is strictly bound to parameter size, falls short of capturing the iterative, algorithmic nature of human induction. In this work, we propose a recursive architecture called Loop-ViT, which decouples reasoning depth from model capacity through weight-tied recurrence. Loop-ViT iterates a weight-tied Hybrid Block, combining local convolutions and global attention, to form a latent chain of thought. Crucially, we introduce a parameter-free Dynamic Exit mechanism based on predictive entropy: the model halts inference when its internal state ``crystallizes" into a low-uncertainty attractor. Empirical results on the ARC-AGI-1 benchmark validate this perspective: our 18M model achieves 65.8% accuracy, outperforming massive 73M-parameter ensembles. These findings demonstrate that adaptive iterative computation offers a far more efficient scaling axis for visual reasoning than simply increasing network width. The code is available at https://github.com/WenjieShu/LoopViT.

In a compound AI system, components such as an LLM call, a retriever, a code interpreter, or tools are interconnected. The system's behavior is primarily driven by parameters such as instructions or tool definitions. Recent advancements enable end-to-end optimization of these parameters using an LLM. Notably, leveraging an LLM as an optimizer is particularly efficient because it avoids gradient computation and can generate complex code and instructions. This paper presents a survey of the principles and emerging trends in LLM-based optimization of compound AI systems. It covers archetypes of compound AI systems, approaches to LLM-based end-to-end optimization, and insights into future directions and broader impacts. Importantly, this survey uses concepts from program analysis to provide a unified view of how an LLM optimizer is prompted to optimize a compound AI system. The exhaustive list of paper is provided at https://github.com/linyuhongg/LLM-based-Optimization-of-Compound-AI-Systems.

Program synthesis is challenging largely because of the difficulty of search in a large space of programs. Human programmers routinely tackle the task of writing complex programs by writing sub-programs and then analyzing their intermediate results to compose them in appropriate ways. Motivated by this intuition, we present a new synthesis approach that leverages learning to guide a bottom-up search over programs. In particular, we train a model to prioritize compositions of intermediate values during search conditioned on a given set of input-output examples. This is a powerful combination because of several emergent properties. First, in bottom-up search, intermediate programs can be executed, providing semantic information to the neural network. Second, given the concrete values from those executions, we can exploit rich features based on recent work on property signatures. Finally, bottom-up search allows the system substantial flexibility in what order to generate the solution, allowing the synthesizer to build up a program from multiple smaller sub-programs. Overall, our empirical evaluation finds that the combination of learning and bottom-up search is remarkably effective, even with simple supervised learning approaches. We demonstrate the effectiveness of our technique on two datasets, one from the SyGuS competition and one of our own creation.

Recently, an intriguing class of non-convex optimization problems has emerged in the context of learning directed acyclic graphs (DAGs). These problems involve minimizing a given loss or score function, subject to a non-convex continuous constraint that penalizes the presence of cycles in a graph. In this work, we delve into the optimization challenges associated with this class of non-convex programs. To address these challenges, we propose a bi-level algorithm that leverages the non-convex constraint in a novel way. The outer level of the algorithm optimizes over topological orders by iteratively swapping pairs of nodes within the topological order of a DAG. A key innovation of our approach is the development of an effective method for generating a set of candidate swapping pairs for each iteration. At the inner level, given a topological order, we utilize off-the-shelf solvers that can handle linear constraints. The key advantage of our proposed algorithm is that it is guaranteed to find a local minimum or a KKT point under weaker conditions compared to previous work and finds solutions with lower scores. Extensive experiments demonstrate that our method outperforms state-of-the-art approaches in terms of achieving a better score. Additionally, our method can also be used as a post-processing algorithm to significantly improve the score of other algorithms. Code implementing the proposed method is available at https://github.com/duntrain/topo.

Context: Bugs in code are inevitable and can lead to severe consequences, ranging from security vulnerabilities to operational failures. Debugging software remains challenging despite advances in testing and verification, often requiring extensive manual effort. Learning-based automated program repair (APR) has shown promise in reducing the time, effort, and cost of manually fixing bugs. However, existing techniques face several challenges, including language-dependent strategies, limited bug context utilization, and difficulties in handling bugs that span multiple locations in the code. Objective: This paper introduces MultiMend, a learning-based APR approach designed to improve repair performance on multiple programming languages with language-independent context augmentation and multi-hunk patch generation. Method: MultiMend fine-tunes a pre-trained encoder-decoder transformer model (CodeT5) to generate bug-fixing patches. It embeds source code lines and applies retrieval-augmented generation to augment the buggy context with relevant lines during patch generation. The approach systematically constructs patches for multi-hunk bugs to reduce the needed patch validations. We evaluate MultiMend on four benchmarks with four programming languages and compare it with state-of-the-art methods. Results: Experimental results show that MultiMend achieves competitive effectiveness and efficiency against compared tools. Across all benchmarks, MultiMend fixes 2,077 bugs, of which 1,455 are identical to the developer's patch, and 106 are for multi-hunk bugs. Both context augmentation and multi-hunk patch generation positively contribute to the results. Conclusion: MultiMend shows promising performance across benchmarks. The findings highlight its applicability to real-world software maintenance and its potential to reduce manual debugging efforts.

Large Multimodal Models (LMMs) have achieved remarkable success in vision-language tasks, yet their vast parameter counts are often underutilized during both training and inference. In this work, we embrace the idea of looping back to move forward: reusing model parameters through recursive refinement to extract stronger multimodal representations without increasing model size. We propose RecursiveVLM, a recursive Transformer architecture tailored for LMMs. Two key innovations enable effective looping: (i) a Recursive Connector that aligns features across recursion steps by fusing intermediate-layer hidden states and applying modality-specific projections, respecting the distinct statistical structures of vision and language tokens; (ii) a Monotonic Recursion Loss that supervises every step and guarantees performance improves monotonically with recursion depth. This design transforms recursion into an on-demand refinement mechanism: delivering strong results with few loops on resource-constrained devices and progressively improving outputs when more computation resources are available. Experiments show consistent gains of +3% over standard Transformers and +7% over vanilla recursive baselines, demonstrating that strategic looping is a powerful path toward efficient, deployment-adaptive LMMs.

Engineering efficient implementations of compact and succinct structures is a time-consuming and challenging task, since there is no standard library of easy-to- use, highly optimized, and composable components. One consequence is that measuring the practical impact of new theoretical proposals is a difficult task, since older base- line implementations may not rely on the same basic components, and reimplementing from scratch can be very time-consuming. In this paper we present a framework for experimentation with succinct data structures, providing a large set of configurable components, together with tests, benchmarks, and tools to analyze resource requirements. We demonstrate the functionality of the framework by recomposing succinct solutions for document retrieval.

Code provides a general syntactic structure to build complex programs and perform precise computations when paired with a code interpreter - we hypothesize that language models (LMs) can leverage code-writing to improve Chain of Thought reasoning not only for logic and arithmetic tasks, but also for semantic ones (and in particular, those that are a mix of both). For example, consider prompting an LM to write code that counts the number of times it detects sarcasm in an essay: the LM may struggle to write an implementation for "detect_sarcasm(string)" that can be executed by the interpreter (handling the edge cases would be insurmountable). However, LMs may still produce a valid solution if they not only write code, but also selectively "emulate" the interpreter by generating the expected output of "detect_sarcasm(string)". In this work, we propose Chain of Code (CoC), a simple yet surprisingly effective extension that improves LM code-driven reasoning. The key idea is to encourage LMs to format semantic sub-tasks in a program as flexible pseudocode that the interpreter can explicitly catch undefined behaviors and hand off to simulate with an LM (as an "LMulator"). Experiments demonstrate that Chain of Code outperforms Chain of Thought and other baselines across a variety of benchmarks; on BIG-Bench Hard, Chain of Code achieves 84%, a gain of 12% over Chain of Thought. In a nutshell, CoC broadens the scope of reasoning questions that LMs can answer by "thinking in code".

Current literature, aiming to surpass the "Chain-of-Thought" approach, often resorts to an external modus operandi involving halting, modifying, and then resuming the generation process to boost Large Language Models' (LLMs) reasoning capacities. This mode escalates the number of query requests, leading to increased costs, memory, and computational overheads. Addressing this, we propose the Algorithm of Thoughts -- a novel strategy that propels LLMs through algorithmic reasoning pathways, pioneering a new mode of in-context learning. By employing algorithmic examples, we exploit the innate recurrence dynamics of LLMs, expanding their idea exploration with merely one or a few queries. Our technique outperforms earlier single-query methods and stands on par with a recent multi-query strategy that employs an extensive tree search algorithm. Intriguingly, our results suggest that instructing an LLM using an algorithm can lead to performance surpassing that of the algorithm itself, hinting at LLM's inherent ability to weave its intuition into optimized searches. We probe into the underpinnings of our method's efficacy and its nuances in application.

The field of Automatic Machine Learning (AutoML) has recently attained impressive results, including the discovery of state-of-the-art machine learning solutions, such as neural image classifiers. This is often done by applying an evolutionary search method, which samples multiple candidate solutions from a large space and evaluates the quality of each candidate through a long training process. As a result, the search tends to be slow. In this paper, we show that large efficiency gains can be obtained by employing a fast unified functional hash, especially through the functional equivalence caching technique, which we also present. The central idea is to detect by hashing when the search method produces equivalent candidates, which occurs very frequently, and this way avoid their costly re-evaluation. Our hash is "functional" in that it identifies equivalent candidates even if they were represented or coded differently, and it is "unified" in that the same algorithm can hash arbitrary representations; e.g. compute graphs, imperative code, or lambda functions. As evidence, we show dramatic improvements on multiple AutoML domains, including neural architecture search and algorithm discovery. Finally, we consider the effect of hash collisions, evaluation noise, and search distribution through empirical analysis. Altogether, we hope this paper may serve as a guide to hashing techniques in AutoML.

Code generation with large language models has shown significant promise, especially when employing retrieval-augmented generation (RAG) with few-shot examples. However, selecting effective examples that enhance generation quality remains a challenging task, particularly when the target programming language (PL) is underrepresented. In this study, we present two key findings: (1) retrieving examples whose presented algorithmic plans can be referenced for generating the desired behavior significantly improves generation accuracy, and (2) converting code into pseudocode effectively captures such algorithmic plans, enhancing retrieval quality even when the source and the target PLs are different. Based on these findings, we propose Plan-as-query Example Retrieval for few-shot prompting in Code generation (PERC), a novel framework that utilizes algorithmic plans to identify and retrieve effective examples. We validate the effectiveness of PERC through extensive experiments on the CodeContests, HumanEval and MultiPL-E benchmarks: PERC consistently outperforms the state-of-the-art RAG methods in code generation, both when the source and target programming languages match or differ, highlighting its adaptability and robustness in diverse coding environments.

Neurosymbolic approaches integrating large language models with formal reasoning have recently achieved human-level performance on mathematics competition problems in algebra, geometry and number theory. In comparison, combinatorics remains a challenging domain, characterized by a lack of appropriate benchmarks and theorem libraries. To address this gap, we introduce CombiBench, a comprehensive benchmark comprising 100 combinatorial problems, each formalized in Lean~4 and paired with its corresponding informal statement. The problem set covers a wide spectrum of difficulty levels, ranging from middle school to IMO and university level, and span over ten combinatorial topics. CombiBench is suitable for testing IMO solving capabilities since it includes all IMO combinatorial problems since 2000 (except IMO 2004 P3 as its statement contain an images). Furthermore, we provide a comprehensive and standardized evaluation framework, dubbed Fine-Eval (for Fill-in-the-blank in Lean Evaluation), for formal mathematics. It accommodates not only proof-based problems but also, for the first time, the evaluation of fill-in-the-blank questions. Using Fine-Eval as the evaluation method and Kimina Lean Server as the backend, we benchmark several LLMs on CombiBench and observe that their capabilities for formally solving combinatorial problems remain limited. Among all models tested (none of which has been trained for this particular task), Kimina-Prover attains the best results, solving 7 problems (out of 100) under both ``with solution'' and ``without solution'' scenarios. We open source the benchmark dataset alongside with the code of the proposed evaluation method at https://github.com/MoonshotAI/CombiBench/.

Hierarchical structures are popular in recent vision transformers, however, they require sophisticated designs and massive datasets to work well. In this paper, we explore the idea of nesting basic local transformers on non-overlapping image blocks and aggregating them in a hierarchical way. We find that the block aggregation function plays a critical role in enabling cross-block non-local information communication. This observation leads us to design a simplified architecture that requires minor code changes upon the original vision transformer. The benefits of the proposed judiciously-selected design are threefold: (1) NesT converges faster and requires much less training data to achieve good generalization on both ImageNet and small datasets like CIFAR; (2) when extending our key ideas to image generation, NesT leads to a strong decoder that is 8times faster than previous transformer-based generators; and (3) we show that decoupling the feature learning and abstraction processes via this nested hierarchy in our design enables constructing a novel method (named GradCAT) for visually interpreting the learned model. Source code is available https://github.com/google-research/nested-transformer.

Boolean query construction is often critical for medical systematic review literature search. To create an effective Boolean query, systematic review researchers typically spend weeks coming up with effective query terms and combinations. One challenge to creating an effective systematic review Boolean query is the selection of effective MeSH Terms to include in the query. In our previous work, we created neural MeSH term suggestion methods and compared them to state-of-the-art MeSH term suggestion methods. We found neural MeSH term suggestion methods to be highly effective. In this demonstration, we build upon our previous work by creating (1) a Web-based MeSH term suggestion prototype system that allows users to obtain suggestions from a number of underlying methods and (2) a Python library that implements ours and others' MeSH term suggestion methods and that is aimed at researchers who want to further investigate, create or deploy such type of methods. We describe the architecture of the web-based system and how to use it for the MeSH term suggestion task. For the Python library, we describe how the library can be used for advancing further research and experimentation, and we validate the results of the methods contained in the library on standard datasets. Our web-based prototype system is available at http://ielab-mesh-suggest.uqcloud.net, while our Python library is at https://github.com/ielab/meshsuggestlib.

Code LLMs are being rapidly deployed and there is evidence that they can make professional programmers more productive. Current benchmarks for code generation measure whether models generate correct programs given an expert prompt. In this paper, we present a new benchmark containing multiple prompts per problem, written by a specific population of non-expert prompters: beginning programmers. StudentEval contains 1,749 prompts for 48 problems, written by 80 students who have only completed one semester of Python programming. Our students wrote these prompts while working interactively with a Code LLM, and we observed very mixed success rates. We use StudentEval to evaluate 5 Code LLMs and find that StudentEval is a better discriminator of model performance than existing benchmarks. We analyze the prompts and find significant variation in students' prompting techniques. We also find that nondeterministic LLM sampling could mislead students into thinking that their prompts are more (or less) effective than they actually are, which has implications for how to teach with Code LLMs.

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.

In today's software world with its cornucopia of reusable software libraries, when a programmer is faced with a programming task that they suspect can be completed through the use of a library, they often look for code examples using a search engine and then manually adapt found examples to their specific context of use. We put forward a vision based on a new breed of developer tools that have the potential to largely automate this process. The key idea is to adapt code autocompletion tools such that they take into account not only the developer's already-written code but also the intent of the task the developer is trying to achieve next, formulated in plain natural language. We call this practice of enriching the code with natural language intent to facilitate its completion natural language-guided programming. To show that this idea is feasible we design, implement and benchmark a tool that solves this problem in the context of a specific domain (data science) and a specific programming language (Python). Central to the tool is the use of language models trained on a large corpus of documented code. Our initial experiments confirm the feasibility of the idea but also make it clear that we have only scratched the surface of what may become possible in the future. We end the paper with a comprehensive research agenda to stimulate additional research in the budding area of natural language-guided programming.

As large language models (LLMs) excel at code reasoning, a natural question arises: can an LLM execute programs (i.e., act as an interpreter) purely based on a programming language's formal semantics? If so, it will enable rapid prototyping of new programming languages and language features. We study this question using the imperative language IMP (a subset of C), formalized via small-step operational semantics (SOS) and rewriting-based operational semantics (K-semantics). We introduce three evaluation sets-Human-Written, LLM-Translated, and Fuzzer- Generated-whose difficulty is controlled by code-complexity metrics spanning the size, control-flow, and data-flow axes. Given a program and its semantics formalized with SOS/K-semantics, models are evaluated on three tasks ranging from coarse to fine: (1) final-state prediction, (2) semantic rule prediction, and (3) execution trace prediction. To distinguish pretraining memorization from semantic competence, we define two nonstandard semantics obtained through systematic mutations of the standard rules. Across strong code/reasoning LLMs, performance drops under nonstandard semantics despite high performance under the standard one. We further find that (i) there are patterns to different model failures, (ii) most reasoning models perform exceptionally well on coarse grained tasks involving reasoning about highly complex programs often containing nested loop depths beyond five, and surprisingly, (iii) providing formal semantics helps on simple programs but often hurts on more complex ones. Overall, the results show a promise that LLMs could serve as programming language interpreters, but points to the lack of their robust semantics understanding. We release the benchmark and the supporting code at https://github.com/EngineeringSoftware/PLSemanticsBench.

Quantum algorithms based on variational approaches are one of the most promising methods to construct quantum solutions and have found a myriad of applications in the last few years. Despite the adaptability and simplicity, their scalability and the selection of suitable ans\"atzs remain key challenges. In this work, we report an algorithmic framework based on nested Monte-Carlo Tree Search (MCTS) coupled with the combinatorial multi-armed bandit (CMAB) model for the automated design of quantum circuits. Through numerical experiments, we demonstrated our algorithm applied to various kinds of problems, including the ground energy problem in quantum chemistry, quantum optimisation on a graph, solving systems of linear equations, and finding encoding circuit for quantum error detection codes. Compared to the existing approaches, the results indicate that our circuit design algorithm can explore larger search spaces and optimise quantum circuits for larger systems, showing both versatility and scalability.

Code Large Language Models (Code LLMs) have emerged as powerful tools, revolutionizing the software development landscape by automating the coding process and reducing time and effort required to build applications. This paper focuses on training Code LLMs to specialize in the field of quantum computing. We begin by discussing the unique needs of quantum computing programming, which differ significantly from classical programming approaches or languages. A Code LLM specializing in quantum computing requires a foundational understanding of quantum computing and quantum information theory. However, the scarcity of available quantum code examples and the rapidly evolving field, which necessitates continuous dataset updates, present significant challenges. Moreover, we discuss our work on training Code LLMs to produce high-quality quantum code using the Qiskit library. This work includes an examination of the various aspects of the LLMs used for training and the specific training conditions, as well as the results obtained with our current models. To evaluate our models, we have developed a custom benchmark, similar to HumanEval, which includes a set of tests specifically designed for the field of quantum computing programming using Qiskit. Our findings indicate that our model outperforms existing state-of-the-art models in quantum computing tasks. We also provide examples of code suggestions, comparing our model to other relevant code LLMs. Finally, we introduce a discussion on the potential benefits of Code LLMs for quantum computing computational scientists, researchers, and practitioners. We also explore various features and future work that could be relevant in this context.

With recent dramatic increases in AI system capabilities, there has been growing interest in utilizing machine learning for reasoning-heavy, quantitative tasks, particularly mathematics. While there are many resources capturing mathematics at the high-school, undergraduate, and graduate level, there are far fewer resources available that align with the level of difficulty and open endedness encountered by professional mathematicians working on open problems. To address this, we introduce a new collection of datasets, the Algebraic Combinatorics Dataset Repository (ACD Repo), representing either foundational results or open problems in algebraic combinatorics, a subfield of mathematics that studies discrete structures arising from abstract algebra. Further differentiating our dataset collection is the fact that it aims at the conjecturing process. Each dataset includes an open-ended research-level question and a large collection of examples (up to 10M in some cases) from which conjectures should be generated. We describe all nine datasets, the different ways machine learning models can be applied to them (e.g., training with narrow models followed by interpretability analysis or program synthesis with LLMs), and discuss some of the challenges involved in designing datasets like these.

Researchers have made significant progress in automating the software development process in the past decades. Recent progress in Large Language Models (LLMs) has significantly impacted the development process, where developers can use LLM-based programming assistants to achieve automated coding. Nevertheless, software engineering involves the process of program improvement apart from coding, specifically to enable software maintenance (e.g. bug fixing) and software evolution (e.g. feature additions). In this paper, we propose an automated approach for solving GitHub issues to autonomously achieve program improvement. In our approach called AutoCodeRover, LLMs are combined with sophisticated code search capabilities, ultimately leading to a program modification or patch. In contrast to recent LLM agent approaches from AI researchers and practitioners, our outlook is more software engineering oriented. We work on a program representation (abstract syntax tree) as opposed to viewing a software project as a mere collection of files. Our code search exploits the program structure in the form of classes/methods to enhance LLM's understanding of the issue's root cause, and effectively retrieve a context via iterative search. The use of spectrum-based fault localization using tests, further sharpens the context, as long as a test-suite is available. Experiments on SWE-bench-lite (300 real-life GitHub issues) show increased efficacy in solving GitHub issues (19% on SWE-bench-lite), which is higher than the efficacy of the recently reported SWE-agent. In addition, AutoCodeRover achieved this efficacy with significantly lower cost (on average, $0.43 USD), compared to other baselines. We posit that our workflow enables autonomous software engineering, where, in future, auto-generated code from LLMs can be autonomously improved.

Using a long-standing conjecture from combinatorial group theory, we explore, from multiple perspectives, the challenges of finding rare instances carrying disproportionately high rewards. Based on lessons learned in the context defined by the Andrews-Curtis conjecture, we propose algorithmic enhancements and a topological hardness measure with implications for a broad class of search problems. As part of our study, we also address several open mathematical questions. Notably, we demonstrate the length reducibility of all but two presentations in the Akbulut-Kirby series (1981), and resolve various potential counterexamples in the Miller-Schupp series (1991), including three infinite subfamilies.

Software engineers mainly write code by editing existing programs. In contrast, large language models (LLMs) autoregressively synthesize programs in a single pass. One explanation for this is the scarcity of open-sourced edit data. While high-quality instruction data for code synthesis is already scarce, high-quality edit data is even scarcer. To fill this gap, we develop a synthetic data generation algorithm called LintSeq. This algorithm refactors existing code into a sequence of code edits by using a linter to procedurally sample across the error-free insertions that can be used to sequentially write programs. It outputs edit sequences as text strings consisting of consecutive program diffs. To test LintSeq, we use it to refactor a dataset of instruction + program pairs into instruction + program-diff-sequence tuples. Then, we instruction finetune a series of smaller LLMs ranging from 2.6B to 14B parameters on both the re-factored and original versions of this dataset, comparing zero-shot performance on code synthesis benchmarks. We show that during repeated sampling, edit sequence finetuned models produce more diverse programs than baselines. This results in better inference-time scaling for benchmark coverage as a function of samples, i.e. the fraction of problems "pass@k" solved by any attempt given "k" tries. For example, on HumanEval pass@50, small LLMs finetuned on synthetic edit sequences are competitive with GPT-4 and outperform models finetuned on the baseline dataset by +20% (+/-3%) in absolute score. Finally, we also pretrain our own tiny LMs for code understanding. We show that finetuning tiny models on synthetic code edits results in state-of-the-art code synthesis for the on-device model class. Our 150M parameter edit sequence LM matches or outperforms code models with twice as many parameters, both with and without repeated sampling, including Codex and AlphaCode.

Procedures are inherently hierarchical. To "make videos", one may need to "purchase a camera", which in turn may require one to "set a budget". While such hierarchical knowledge is critical for reasoning about complex procedures, most existing work has treated procedures as shallow structures without modeling the parent-child relation. In this work, we attempt to construct an open-domain hierarchical knowledge-base (KB) of procedures based on wikiHow, a website containing more than 110k instructional articles, each documenting the steps to carry out a complex procedure. To this end, we develop a simple and efficient method that links steps (e.g., "purchase a camera") in an article to other articles with similar goals (e.g., "how to choose a camera"), recursively constructing the KB. Our method significantly outperforms several strong baselines according to automatic evaluation, human judgment, and application to downstream tasks such as instructional video retrieval. A demo with partial data can be found at https://wikihow-hierarchy.github.io. The code and the data are at https://github.com/shuyanzhou/wikihow_hierarchy.

Template mining is one of the foundational tasks to support log analysis, which supports the diagnosis and troubleshooting of large scale Web applications. This paper develops a human-in-the-loop template mining framework to support interactive log analysis, which is highly desirable in real-world diagnosis or troubleshooting of Web applications but yet previous template mining algorithms fails to support it. We formulate three types of light-weight user feedbacks and based on them we design three atomic human-in-the-loop template mining algorithms. We derive mild conditions under which the outputs of our proposed algorithms are provably correct. We also derive upper bounds on the computational complexity and query complexity of each algorithm. We demonstrate the versatility of our proposed algorithms by combining them to improve the template mining accuracy of five representative algorithms over sixteen widely used benchmark datasets.

Instruction following has catalyzed the recent era of Large Language Models (LLMs) and is the foundational skill underpinning more advanced capabilities such as reasoning and agentic behaviors. As tasks grow more challenging, the logic structures embedded in natural language instructions becomes increasingly intricate. However, how well LLMs perform on such logic-rich instructions remains under-explored. We propose LogicIFGen and LogicIFEval. LogicIFGen is a scalable, automated framework for generating verifiable instructions from code functions, which can naturally express rich logic such as conditionals, nesting, recursion, and function calls. We further curate a collection of complex code functions and use LogicIFGen to construct LogicIFEval, a benchmark comprising 426 verifiable logic-rich instructions. Our experiments demonstrate that current state-of-the-art LLMs still struggle to correctly follow the instructions in LogicIFEval. Most LLMs can only follow fewer than 60% of the instructions, revealing significant deficiencies in the instruction-following ability. Code and Benchmark: https://github.com/mianzhang/LogicIF

We propose a new definition of higher-order DisCoCat (categorical compositional distributional) models where the meaning of a word is not a diagram, but a diagram-valued higher-order function. Our models can be seen as a variant of Montague semantics based on a lambda calculus where the primitives act on string diagrams rather than logical formulae. As a special case, we show how to translate from the Lambek calculus into Peirce's system beta for first-order logic. This allows us to give a purely diagrammatic treatment of higher-order and non-linear processes in natural language semantics: adverbs, prepositions, negation and quantifiers. The theoretical definition presented in this article comes with a proof-of-concept implementation in DisCoPy, the Python library for string diagrams.

The question of whether there exists a finite group of order at least three in which every element except one is a commutator has remained unresolved in group theory. In this article, we address this open problem by developing an algorithmic approach that leverages several group theoretic properties of such groups. Specifically, we utilize a result of Frobenius and various necessary properties of such groups, combined with Plesken and Holt's extensive enumeration of finite perfect groups, to systematically examine all finite groups up to a certain order for the desired property. The computational core of our work is implemented using the computer system GAP (Groups, Algorithms, and Programming). We discover two nonisomorphic groups of order 368,640 that exhibit the desired property. Our investigation also establishes that this order is the minimum order for such a group to exist. As a result, this study provides a positive answer to Problem 17.76 in the Kourovka Notebook. In addition to the algorithmic framework, this paper provides a structural description of one of the two groups found.

Code search is an important task that has seen many developments in recent years. However, previous attempts have mostly considered the problem of searching for code by a text query. We argue that using a code snippet (and possibly an associated traceback) as a query and looking for answers with bugfixing instructions and code samples is a natural use case that is not covered by existing approaches. Moreover, existing datasets use comments extracted from code rather than full-text descriptions as text, making them unsuitable for this use case. We present a new SearchBySnippet dataset implementing the search-by-code use case based on StackOverflow data; it turns out that in this setting, existing architectures fall short of the simplest BM25 baseline even after fine-tuning. We present a new single encoder model SnippeR that outperforms several strong baselines on the SearchBySnippet dataset with a result of 0.451 Recall@10; we propose the SearchBySnippet dataset and SnippeR as a new important benchmark for code search evaluation.

The tool-use Large Language Models (LLMs) that integrate with external Python interpreters have significantly enhanced mathematical reasoning capabilities for open-source LLMs, while tool-free methods chose another track: augmenting math reasoning data. However, a great method to integrate the above two research paths and combine their advantages remains to be explored. In this work, we firstly include new math questions via multi-perspective data augmenting methods and then synthesize code-nested solutions to them. The open LLMs (i.e., Llama-2) are finetuned on the augmented dataset to get the resulting models, MuMath-Code (mu-Math-Code). During the inference phase, our MuMath-Code generates code and interacts with the external python interpreter to get the execution results. Therefore, MuMath-Code leverages the advantages of both the external tool and data augmentation. To fully leverage the advantages of our augmented data, we propose a two-stage training strategy: In Stage-1, we finetune Llama-2 on pure CoT data to get an intermediate model, which then is trained on the code-nested data in Stage-2 to get the resulting MuMath-Code. Our MuMath-Code-7B achieves 83.8 on GSM8K and 52.4 on MATH, while MuMath-Code-70B model achieves new state-of-the-art performance among open methods -- achieving 90.7% on GSM8K and 55.1% on MATH. Extensive experiments validate the combination of tool use and data augmentation, as well as our two-stage training strategy. We release the proposed dataset along with the associated code for public use.

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.

We introduce self-invoking code generation, a new task designed to evaluate the progressive reasoning and problem-solving capabilities of LLMs. In this task, models are presented with a base problem and a related, more complex problem. They must solve the base problem and then utilize its solution to address the more complex one. This work features three key contributions. First, we propose a general recipe for generating more challenging versions of existing benchmarks, resulting in three new benchmarks: HumanEval Pro, MBPP Pro, and BigCodeBench-Lite Pro, specifically designed to assess LLMs on self-invoking code generation. Second, from the analysis of experimental results over twenty LLMs on our benchmarks, we have two important observations: (i) Most LLMs excel in traditional code generation benchmarks like HumanEval and MBPP, but their performance declines on self-invoking tasks. For example, o1-mini achieves 96.2% pass@1 on HumanEval but only 76.2% on HumanEval Pro. (ii) On self-invoking code generation task, the instruction-tuned models demonstrate only marginal improvements compared to the base models. Third, we disclose the types of failure modes that exist in our evaluation results. All these results underscore the need for further advancements in self-invoking code generation tasks and provide a new direction for future research on enhancing LLMs' code reasoning capabilities.

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.

Transformers have demonstrated effectiveness in in-context solving data-fitting problems from various (latent) models, as reported by Garg et al. However, the absence of an inherent iterative structure in the transformer architecture presents a challenge in emulating the iterative algorithms, which are commonly employed in traditional machine learning methods. To address this, we propose the utilization of looped transformer architecture and its associated training methodology, with the aim of incorporating iterative characteristics into the transformer architectures. Experimental results suggest that the looped transformer achieves performance comparable to the standard transformer in solving various data-fitting problems, while utilizing less than 10\% of the parameter count.

We introduce a new neural architecture to learn the conditional probability of an output sequence with elements that are discrete tokens corresponding to positions in an input sequence. Such problems cannot be trivially addressed by existent approaches such as sequence-to-sequence and Neural Turing Machines, because the number of target classes in each step of the output depends on the length of the input, which is variable. Problems such as sorting variable sized sequences, and various combinatorial optimization problems belong to this class. Our model solves the problem of variable size output dictionaries using a recently proposed mechanism of neural attention. It differs from the previous attention attempts in that, instead of using attention to blend hidden units of an encoder to a context vector at each decoder step, it uses attention as a pointer to select a member of the input sequence as the output. We call this architecture a Pointer Net (Ptr-Net). We show Ptr-Nets can be used to learn approximate solutions to three challenging geometric problems -- finding planar convex hulls, computing Delaunay triangulations, and the planar Travelling Salesman Problem -- using training examples alone. Ptr-Nets not only improve over sequence-to-sequence with input attention, but also allow us to generalize to variable size output dictionaries. We show that the learnt models generalize beyond the maximum lengths they were trained on. We hope our results on these tasks will encourage a broader exploration of neural learning for discrete problems.

We present an end-to-end reconfigurable algorithmic pipeline for solving a famous problem in knot theory using a noisy digital quantum computer, namely computing the value of the Jones polynomial at the fifth root of unity within additive error for any input link, i.e. a closed braid. This problem is DQC1-complete for Markov-closed braids and BQP-complete for Plat-closed braids, and we accommodate both versions of the problem. Even though it is widely believed that DQC1 is strictly contained in BQP, and so is 'less quantum', the resource requirements of classical algorithms for the DQC1 version are at least as high as for the BQP version, and so we potentially gain 'more advantage' by focusing on Markov-closed braids in our exposition. We demonstrate our quantum algorithm on Quantinuum's H2-2 quantum computer and show the effect of problem-tailored error-mitigation techniques. Further, leveraging that the Jones polynomial is a link invariant, we construct an efficiently verifiable benchmark to characterise the effect of noise present in a given quantum processor. In parallel, we implement and benchmark the state-of-the-art tensor-network-based classical algorithms for computing the Jones polynomial. The practical tools provided in this work allow for precise resource estimation to identify near-term quantum advantage for a meaningful quantum-native problem in knot theory.

We design a suite of minimal algorithmic tasks that are a loose abstraction of open-ended real-world tasks. This allows us to cleanly and controllably quantify the creative limits of the present-day language model. Much like real-world tasks that require a creative, far-sighted leap of thought, our tasks require an implicit, open-ended stochastic planning step that either (a) discovers new connections in an abstract knowledge graph (like in wordplay, drawing analogies, or research) or (b) constructs new patterns (like in designing math problems or new proteins). In these tasks, we empirically and conceptually argue how next-token learning is myopic and memorizes excessively; comparatively, multi-token approaches, namely teacherless training and diffusion models, excel in producing diverse and original output. Secondly, in our tasks, we find that to elicit randomness from the Transformer without hurting coherence, it is better to inject noise right at the input layer (via a method we dub hash-conditioning) rather than defer to temperature sampling from the output layer. Thus, our work offers a principled, minimal test-bed for analyzing open-ended creative skills, and offers new arguments for going beyond next-token learning and softmax-based sampling. We make part of the code available under https://github.com/chenwu98/algorithmic-creativity

Tensor network (TN) is a powerful framework in machine learning, but selecting a good TN model, known as TN structure search (TN-SS), is a challenging and computationally intensive task. The recent approach TNLS~li2022permutation showed promising results for this task, however, its computational efficiency is still unaffordable, requiring too many evaluations of the objective function. We propose TnALE, a new algorithm that updates each structure-related variable alternately by local enumeration, greatly reducing the number of evaluations compared to TNLS. We theoretically investigate the descent steps for TNLS and TnALE, proving that both algorithms can achieve linear convergence up to a constant if a sufficient reduction of the objective is reached in each neighborhood. We also compare the evaluation efficiency of TNLS and TnALE, revealing that Omega(2^N) evaluations are typically required in TNLS for reaching the objective reduction in the neighborhood, while ideally O(N^2R) evaluations are sufficient in TnALE, where N denotes the tensor order and R reflects the ``low-rankness'' of the neighborhood. Experimental results verify that TnALE can find practically good TN-ranks and permutations with vastly fewer evaluations than the state-of-the-art algorithms.

The Automunge open source python library platform for tabular data pre-processing automates feature engineering data transformations of numerical encoding and missing data infill to received tidy data on bases fit to properties of columns in a designated train set for consistent and efficient application to subsequent data pipelines such as for inference, where transformations may be applied to distinct columns in "family tree" sets with generations and branches of derivations. Included in the library of transformations are methods to extract structure from bounded categorical string sets by way of automated string parsing, in which comparisons between entries in the set of unique values are parsed to identify character subset overlaps which may be encoded by appended columns of boolean overlap detection activations or by replacing string entries with identified overlap partitions. Further string parsing options, which may also be applied to unbounded categoric sets, include extraction of numeric substring partitions from entries or search functions to identify presence of specified substring partitions. The aggregation of these methods into "family tree" sets of transformations are demonstrated for use to automatically extract structure from categoric string compositions in relation to the set of entries in a column, such as may be applied to prepare categoric string set encodings for machine learning without human intervention.

In this work, we make the first attempt to evaluate LLMs in a more challenging code generation scenario, i.e. class-level code generation. We first manually construct the first class-level code generation benchmark ClassEval of 100 class-level Python code generation tasks with approximately 500 person-hours. Based on it, we then perform the first study of 11 state-of-the-art LLMs on class-level code generation. Based on our results, we have the following main findings. First, we find that all existing LLMs show much worse performance on class-level code generation compared to on standalone method-level code generation benchmarks like HumanEval; and the method-level coding ability cannot equivalently reflect the class-level coding ability among LLMs. Second, we find that GPT-4 and GPT-3.5 still exhibit dominate superior than other LLMs on class-level code generation, and the second-tier models includes Instruct-Starcoder, Instruct-Codegen, and Wizardcoder with very similar performance. Third, we find that generating the entire class all at once (i.e. holistic generation strategy) is the best generation strategy only for GPT-4 and GPT-3.5, while method-by-method generation (i.e. incremental and compositional) is better strategies for the other models with limited ability of understanding long instructions and utilizing the middle information. Lastly, we find the limited model ability of generating method-dependent code and discuss the frequent error types in generated classes. Our benchmark is available at https://github.com/FudanSELab/ClassEval.

We consider the task of mapping pseudocode to long programs that are functionally correct. Given test cases as a mechanism to validate programs, we search over the space of possible translations of the pseudocode to find a program that passes the validation. However, without proper credit assignment to localize the sources of program failures, it is difficult to guide search toward more promising programs. We propose to perform credit assignment based on signals from compilation errors, which constitute 88.7% of program failures. Concretely, we treat the translation of each pseudocode line as a discrete portion of the program, and whenever a synthesized program fails to compile, an error localization method tries to identify the portion of the program responsible for the failure. We then focus search over alternative translations of the pseudocode for those portions. For evaluation, we collected the SPoC dataset (Search-based Pseudocode to Code) containing 18,356 programs with human-authored pseudocode and test cases. Under a budget of 100 program compilations, performing search improves the synthesis success rate over using the top-one translation of the pseudocode from 25.6% to 44.7%.

Program source code contains complex structure information, which can be represented in structured data forms like trees or graphs. To acquire the structural information in source code, most existing researches use abstract syntax trees (AST). A group of works add additional edges to ASTs to convert source code into graphs and use graph neural networks to learn representations for program graphs. Although these works provide additional control or data flow information to ASTs for downstream tasks, they neglect an important aspect of structure information in AST itself: the different types of nodes and edges. In ASTs, different nodes contain different kinds of information like variables or control flow, and the relation between a node and all its children can also be different. To address the information of node and edge types, we bring the idea of heterogeneous graphs to learning on source code and present a new formula of building heterogeneous program graphs from ASTs with additional type information for nodes and edges. We use the ASDL grammar of programming language to define the node and edge types of program graphs. Then we use heterogeneous graph neural networks to learn on these graphs. We evaluate our approach on two tasks: code comment generation and method naming. Both tasks require reasoning on the semantics of complete code snippets. Experiment results show that our approach outperforms baseline models, including homogeneous graph-based models, showing that leveraging the type information of nodes and edges in program graphs can help in learning program semantics.

We present Generative Logic (GL), a deterministic architecture that begins from user-supplied axiomatic definitions -- written in a minimalist Mathematical Programming Language (MPL) -- and systematically explores their deductive neighborhood. Definitions are compiled into a distributed grid of simple Logic Blocks (LBs) that exchange messages; any time several expressions unify under an inference rule, a new fact is emitted with full provenance to its sources, yielding replayable, auditable proof graphs. A prototype software implementation instantiates the workflow on first-order Peano arithmetic. Starting only from the Peano axioms, GL enumerates candidate implications, applies normalization and type filters, and automatically reconstructs machine-checkable proofs of foundational arithmetic laws including associativity and commutativity of addition, associativity and commutativity of multiplication, and distributivity. Generated proofs export to navigable HTML so that every inference step can be inspected independently. We outline a hardware-software co-design path toward massively parallel realizations and describe prospective integration with probabilistic models (e.g., Large Language Models (LLMs)) for autoformalization and conjecture seeding. The Python and MPL code to reproduce the Peano experiments, along with the full HTML proof graphs, are available in the project's GitHub repository at https://github.com/Generative-Logic/GL/tree/35a111ea9ba53afe051703d6050be0c3923e9724 and are permanently archived at https://doi.org/10.5281/zenodo.16408441. We invite community feedback and collaboration.

Large Language Models (LLMs) have shown remarkable abilities in structured reasoning and symbolic tasks, with coding emerging as a particular area of strength. This success has sparked growing interest in applying LLMs to mathematics, both in informal problem-solving and formal theorem proving. However, progress in formal mathematics has proven to be significantly more difficult, despite surface-level similarities between programming and proof construction. This discrepancy raises important questions about how LLMs ``reason'', how they are supervised, and whether they internally track a notion of computational or deductive state. In this article, we address the state-of-the-art of the discipline, focusing on recent models and benchmarks, and explore three central issues at the intersection of machine learning and mathematical cognition: (i) the trade-offs between formal and informal mathematics as training domains; (ii) the deeper reasons why proof generation remains more brittle than code synthesis; (iii) and the question of whether LLMs represent, or merely mimic, a notion of evolving logical state. Our goal is not to draw hard boundaries, but to identify where the current limits lie, and how they might be extended.

This paper presents a new state-of-the-art algorithm for exact 3times3 matrix multiplication over general non-commutative rings, achieving a rank-23 scheme with only 58 scalar additions. This improves the previous best additive complexity of 60 additions without a change of basis. The result was discovered through an automated search combining ternary-restricted flip-graph exploration with greedy intersection reduction for common subexpression elimination. The resulting scheme uses only coefficients from {-1, 0, 1}, ensuring both efficiency and portability across arbitrary fields. The total scalar operation count is reduced from 83 to 81.

JSON Schema is an important, evolving standard schema language for families of JSON documents. It is based on a complex combination of structural and Boolean assertions, and features negation and recursion. The static analysis of JSON Schema documents comprises practically relevant problems, including schema satisfiability, inclusion, and equivalence. These three problems can be reduced to witness generation: given a schema, generate an element of the schema, if it exists, and report failure otherwise. Schema satisfiability, inclusion, and equivalence have been shown to be decidable, by reduction to reachability in alternating tree automata. However, no witness generation algorithm has yet been formally described. We contribute a first, direct algorithm for JSON Schema witness generation. We study its effectiveness and efficiency, in experiments over several schema collections, including thousands of real-world schemas. Our focus is on the completeness of the language, where we only exclude the uniqueItems operator, and on the ability of the algorithm to run in a reasonable time on a large set of real-world examples, despite the exponential complexity of the underlying problem.

We introduce a new type of programming challenge called programming puzzles, as an objective and comprehensive evaluation of program synthesis, and release an open-source dataset of Python Programming Puzzles (P3). Each puzzle is defined by a short Python program f, and the goal is to find an input which makes f return True. The puzzles are objective in that each one is specified entirely by the source code of its verifier f, so evaluating f is all that is needed to test a candidate solution. They do not require an answer key or input/output examples, nor do they depend on natural language understanding. The dataset is comprehensive in that it spans problems of a range of difficulties and domains, ranging from trivial string manipulation problems, to classic programming puzzles (e.g., Tower of Hanoi), to interview/competitive-programming problems (e.g., dynamic programming), to longstanding open problems in algorithms and mathematics (e.g., factoring). We develop baseline enumerative program synthesis, GPT-3 and Codex solvers that are capable of solving puzzles -- even without access to any reference solutions -- by learning from their own past solutions. Codex performs best, solving up to 18% of 397 test problems with a single try and 80% of the problems with 1,000 tries per problem. In a small user study, we find a positive correlation between puzzle-solving performance and coding experience, and between the puzzle difficulty for humans and AI solvers. Therefore, further improvements on P3 could have a significant impact on many program synthesis areas.