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Mar 3

RConE: Rough Cone Embedding for Multi-Hop Logical Query Answering on Multi-Modal Knowledge Graphs

Multi-hop query answering over a Knowledge Graph (KG) involves traversing one or more hops from the start node to answer a query. Path-based and logic-based methods are state-of-the-art for multi-hop question answering. The former is used in link prediction tasks. The latter is for answering complex logical queries. The logical multi-hop querying technique embeds the KG and queries in the same embedding space. The existing work incorporates First Order Logic (FOL) operators, such as conjunction (wedge), disjunction (vee), and negation (neg), in queries. Though current models have most of the building blocks to execute the FOL queries, they cannot use the dense information of multi-modal entities in the case of Multi-Modal Knowledge Graphs (MMKGs). We propose RConE, an embedding method to capture the multi-modal information needed to answer a query. The model first shortlists candidate (multi-modal) entities containing the answer. It then finds the solution (sub-entities) within those entities. Several existing works tackle path-based question-answering in MMKGs. However, to our knowledge, we are the first to introduce logical constructs in querying MMKGs and to answer queries that involve sub-entities of multi-modal entities as the answer. Extensive evaluation of four publicly available MMKGs indicates that RConE outperforms the current state-of-the-art.

  • 3 authors
·
Aug 21, 2024

Recursive Meta-Distillation: An Axiomatic Framework for Iterative Knowledge Refinement

Recent work in probability-domain knowledge distillation has established axiomatic frameworks for temperature scaling, multi-teacher aggregation, and bias-variance trade-offs in single-stage settings. However, the mathematical behavior of recursive or multi-generation distillation remains poorly understood, with prior approaches relying primarily on empirical heuristics. In this work, we introduce an axiomatic and operator-theoretic framework for recursive meta-distillation, formalizing iterative knowledge distillation as a sequence of probability-distribution operators with explicit anchoring to base teachers. We define structural axioms for valid meta-teacher construction and prove the existence of non-trivial operator families satisfying these axioms without specifying particular algorithms or loss functions. Under mild realizability and convexity assumptions, we show that anchored recursive distillation induces contraction in KL divergence, yielding geometric convergence to base teacher distributions and a unique, globally attractive fixed point. The contribution is foundational rather than algorithmic: the framework characterizes when recursive distillation is mathematically well-posed and convergent rather than error-accumulating, independent of model architecture, optimization details, or specific operator instantiations. These results provide a theoretical basis for understanding stability, bias-variance behavior, and failure modes in iterative and multi-teacher distillation under capacity constraints.

  • 2 authors
·
Jan 19

Principled Approaches for Extending Neural Architectures to Function Spaces for Operator Learning

A wide range of scientific problems, such as those described by continuous-time dynamical systems and partial differential equations (PDEs), are naturally formulated on function spaces. While function spaces are typically infinite-dimensional, deep learning has predominantly advanced through applications in computer vision and natural language processing that focus on mappings between finite-dimensional spaces. Such fundamental disparities in the nature of the data have limited neural networks from achieving a comparable level of success in scientific applications as seen in other fields. Neural operators are a principled way to generalize neural networks to mappings between function spaces, offering a pathway to replicate deep learning's transformative impact on scientific problems. For instance, neural operators can learn solution operators for entire classes of PDEs, e.g., physical systems with different boundary conditions, coefficient functions, and geometries. A key factor in deep learning's success has been the careful engineering of neural architectures through extensive empirical testing. Translating these neural architectures into neural operators allows operator learning to enjoy these same empirical optimizations. However, prior neural operator architectures have often been introduced as standalone models, not directly derived as extensions of existing neural network architectures. In this paper, we identify and distill the key principles for constructing practical implementations of mappings between infinite-dimensional function spaces. Using these principles, we propose a recipe for converting several popular neural architectures into neural operators with minimal modifications. This paper aims to guide practitioners through this process and details the steps to make neural operators work in practice. Our code can be found at https://github.com/neuraloperator/NNs-to-NOs

  • 7 authors
·
Jun 12, 2025

MgNO: Efficient Parameterization of Linear Operators via Multigrid

In this work, we propose a concise neural operator architecture for operator learning. Drawing an analogy with a conventional fully connected neural network, we define the neural operator as follows: the output of the i-th neuron in a nonlinear operator layer is defined by mathcal O_i(u) = sigmaleft( sum_j mathcal W_{ij} u + mathcal B_{ij}right). Here, mathcal W_{ij} denotes the bounded linear operator connecting j-th input neuron to i-th output neuron, and the bias mathcal B_{ij} takes the form of a function rather than a scalar. Given its new universal approximation property, the efficient parameterization of the bounded linear operators between two neurons (Banach spaces) plays a critical role. As a result, we introduce MgNO, utilizing multigrid structures to parameterize these linear operators between neurons. This approach offers both mathematical rigor and practical expressivity. Additionally, MgNO obviates the need for conventional lifting and projecting operators typically required in previous neural operators. Moreover, it seamlessly accommodates diverse boundary conditions. Our empirical observations reveal that MgNO exhibits superior ease of training compared to other CNN-based models, while also displaying a reduced susceptibility to overfitting when contrasted with spectral-type neural operators. We demonstrate the efficiency and accuracy of our method with consistently state-of-the-art performance on different types of partial differential equations (PDEs).

  • 3 authors
·
Oct 16, 2023

Sparse Knowledge Distillation: A Mathematical Framework for Probability-Domain Temperature Scaling and Multi-Stage Compression

We develop a unified theoretical framework for sparse knowledge distillation based on probability-domain softening operators. While the equivalence p^{1/T} propto softmax(z/T) is well known, our contribution is an operator-level analytical framework built on this foundation rather than the equivalence itself. The framework comprises four core components: (i) operator-agnostic bias--variance decompositions that characterize when sparse students outperform dense teachers, (ii) a homotopy path formalization of multi-stage pruning in function space explaining why iterative compression succeeds where one-shot pruning fails, (iii) convergence guarantees establishing O(1/n) rates for n-stage distillation with explicit parameter dependence, and (iv) equivalence class characterizations identifying distinct probability-domain operators that yield identical student models under capacity constraints. We introduce an axiomatic definition of probability-domain softening operators based on ranking preservation, continuity, entropy monotonicity, identity, and boundary behavior, and show that multiple non-equivalent operator families satisfy these axioms. All learning-theoretic guarantees are shown to hold uniformly across this operator class, independent of implementation details. These results provide theoretical grounding for black-box teacher distillation, partial-access settings such as top-k truncation and text-only outputs, and privacy-preserving model compression.

  • 2 authors
·
Jan 6

The probabilistic world

Physics is based on probabilities as fundamental entities of a mathematical description. Expectation values of observables are computed according to the classical statistical rule. The overall probability distribution for one world covers all times. The quantum formalism arises once one focuses on the evolution of the time-local probabilistic information. Wave functions or the density matrix allow the formulation of a general linear evolution law for classical statistics. The quantum formalism for classical statistics is a powerful tool which allows us to implement for generalized Ising models the momentum observable with the associated Fourier representation. The association of operators to observables permits the computation of expectation values in terms of the density matrix by the usual quantum rule. We show that probabilistic cellular automata are quantum systems in a formulation with discrete time steps and real wave functions. With a complex structure the evolution operator for automata can be expressed in terms of a Hamiltonian involving fermionic creation and annihilation operators. The time-local probabilistic information amounts to a subsystem of the overall probabilistic system which is correlated with its environment consisting of the past and future. Such subsystems typically involve probabilistic observables for which only a probability distribution for their possible measurement values is available. Incomplete statistics does not permit to compute classical correlation functions for arbitrary subsystem-observables. Bell's inequalities are not generally applicable.

  • 1 authors
·
Nov 4, 2020

Space-time tradeoffs of lenses and optics via higher category theory

Optics and lenses are abstract categorical gadgets that model systems with bidirectional data flow. In this paper we observe that the denotational definition of optics - identifying two optics as equivalent by observing their behaviour from the outside - is not suitable for operational, software oriented approaches where optics are not merely observed, but built with their internal setups in mind. We identify operational differences between denotationally isomorphic categories of cartesian optics and lenses: their different composition rule and corresponding space-time tradeoffs, positioning them at two opposite ends of a spectrum. With these motivations we lift the existing categorical constructions and their relationships to the 2-categorical level, showing that the relevant operational concerns become visible. We define the 2-category 2-Optic(C) whose 2-cells explicitly track optics' internal configuration. We show that the 1-category Optic(C) arises by locally quotienting out the connected components of this 2-category. We show that the embedding of lenses into cartesian optics gets weakened from a functor to an oplax functor whose oplaxator now detects the different composition rule. We determine the difficulties in showing this functor forms a part of an adjunction in any of the standard 2-categories. We establish a conjecture that the well-known isomorphism between cartesian lenses and optics arises out of the lax 2-adjunction between their double-categorical counterparts. In addition to presenting new research, this paper is also meant to be an accessible introduction to the topic.

  • 1 authors
·
Sep 19, 2022

Solving Inequality Proofs with Large Language Models

Inequality proving, crucial across diverse scientific and mathematical fields, tests advanced reasoning skills such as discovering tight bounds and strategic theorem application. This makes it a distinct, demanding frontier for large language models (LLMs), offering insights beyond general mathematical problem-solving. Progress in this area is hampered by existing datasets that are often scarce, synthetic, or rigidly formal. We address this by proposing an informal yet verifiable task formulation, recasting inequality proving into two automatically checkable subtasks: bound estimation and relation prediction. Building on this, we release IneqMath, an expert-curated dataset of Olympiad-level inequalities, including a test set and training corpus enriched with step-wise solutions and theorem annotations. We also develop a novel LLM-as-judge evaluation framework, combining a final-answer judge with four step-wise judges designed to detect common reasoning flaws. A systematic evaluation of 29 leading LLMs on IneqMath reveals a surprising reality: even top models like o1 achieve less than 10% overall accuracy under step-wise scrutiny; this is a drop of up to 65.5% from their accuracy considering only final answer equivalence. This discrepancy exposes fragile deductive chains and a critical gap for current LLMs between merely finding an answer and constructing a rigorous proof. Scaling model size and increasing test-time computation yield limited gains in overall proof correctness. Instead, our findings highlight promising research directions such as theorem-guided reasoning and self-refinement. Code and data are available at https://ineqmath.github.io/.

Stanford Stanford AI
·
Jun 9, 2025 2

Category Theory for Quantum Natural Language Processing

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.

  • 1 authors
·
Dec 13, 2022

Complex Query Answering with Neural Link Predictors

Neural link predictors are immensely useful for identifying missing edges in large scale Knowledge Graphs. However, it is still not clear how to use these models for answering more complex queries that arise in a number of domains, such as queries using logical conjunctions (land), disjunctions (lor) and existential quantifiers (exists), while accounting for missing edges. In this work, we propose a framework for efficiently answering complex queries on incomplete Knowledge Graphs. We translate each query into an end-to-end differentiable objective, where the truth value of each atom is computed by a pre-trained neural link predictor. We then analyse two solutions to the optimisation problem, including gradient-based and combinatorial search. In our experiments, the proposed approach produces more accurate results than state-of-the-art methods -- black-box neural models trained on millions of generated queries -- without the need of training on a large and diverse set of complex queries. Using orders of magnitude less training data, we obtain relative improvements ranging from 8% up to 40% in Hits@3 across different knowledge graphs containing factual information. Finally, we demonstrate that it is possible to explain the outcome of our model in terms of the intermediate solutions identified for each of the complex query atoms. All our source code and datasets are available online, at https://github.com/uclnlp/cqd.

  • 4 authors
·
Nov 6, 2020

Semantic Operators: A Declarative Model for Rich, AI-based Data Processing

The semantic capabilities of large language models (LLMs) have the potential to enable rich analytics and reasoning over vast knowledge corpora. Unfortunately, existing systems either empirically optimize expensive LLM-powered operations with no performance guarantees, or serve a limited set of row-wise LLM operations, providing limited robustness, expressiveness and usability. We introduce semantic operators, the first formalism for declarative and general-purpose AI-based transformations based on natural language specifications (e.g., filtering, sorting, joining or aggregating records using natural language criteria). Each operator opens a rich space for execution plans, similar to relational operators. Our model specifies the expected behavior of each operator with a high-quality gold algorithm, and we develop an optimization framework that reduces cost, while providing accuracy guarantees with respect to a gold algorithm. Using this approach, we propose several novel optimizations to accelerate semantic filtering, joining, group-by and top-k operations by up to 1,000times. We implement semantic operators in the LOTUS system and demonstrate LOTUS' effectiveness on real, bulk-semantic processing applications, including fact-checking, biomedical multi-label classification, search, and topic analysis. We show that the semantic operator model is expressive, capturing state-of-the-art AI pipelines in a few operator calls, and making it easy to express new pipelines that match or exceed quality of recent LLM-based analytic systems by up to 170%, while offering accuracy guarantees. Overall, LOTUS programs match or exceed the accuracy of state-of-the-art AI pipelines for each task while running up to 3.6times faster than the highest-quality baselines. LOTUS is publicly available at https://github.com/lotus-data/lotus.

  • 7 authors
·
Jul 16, 2024

Order Theory in the Context of Machine Learning

The paper ``Tropical Geometry of Deep Neural Networks'' by L. Zhang et al. introduces an equivalence between integer-valued neural networks (IVNN) with ReLU_{t} and tropical rational functions, which come with a map to polytopes. Here, IVNN refers to a network with integer weights but real biases, and ReLU_{t} is defined as ReLU_{t}(x)=max(x,t) for tinRcup{-infty}. For every poset with n points, there exists a corresponding order polytope, i.e., a convex polytope in the unit cube [0,1]^n whose coordinates obey the inequalities of the poset. We study neural networks whose associated polytope is an order polytope. We then explain how posets with four points induce neural networks that can be interpreted as 2times 2 convolutional filters. These poset filters can be added to any neural network, not only IVNN. Similarly to maxout, poset pooling filters update the weights of the neural network during backpropagation with more precision than average pooling, max pooling, or mixed pooling, without the need to train extra parameters. We report experiments that support our statements. We also define the structure of algebra over the operad of posets on poset neural networks and tropical polynomials. This formalism allows us to study the composition of poset neural network arquitectures and the effect on their corresponding Newton polytopes, via the introduction of the generalization of two operations on polytopes: the Minkowski sum and the convex envelope.

  • 5 authors
·
Dec 8, 2024

Neural Databases

In recent years, neural networks have shown impressive performance gains on long-standing AI problems, and in particular, answering queries from natural language text. These advances raise the question of whether they can be extended to a point where we can relax the fundamental assumption of database management, namely, that our data is represented as fields of a pre-defined schema. This paper presents a first step in answering that question. We describe NeuralDB, a database system with no pre-defined schema, in which updates and queries are given in natural language. We develop query processing techniques that build on the primitives offered by the state of the art Natural Language Processing methods. We begin by demonstrating that at the core, recent NLP transformers, powered by pre-trained language models, can answer select-project-join queries if they are given the exact set of relevant facts. However, they cannot scale to non-trivial databases and cannot perform aggregation queries. Based on these findings, we describe a NeuralDB architecture that runs multiple Neural SPJ operators in parallel, each with a set of database sentences that can produce one of the answers to the query. The result of these operators is fed to an aggregation operator if needed. We describe an algorithm that learns how to create the appropriate sets of facts to be fed into each of the Neural SPJ operators. Importantly, this algorithm can be trained by the Neural SPJ operator itself. We experimentally validate the accuracy of NeuralDB and its components, showing that we can answer queries over thousands of sentences with very high accuracy.

  • 6 authors
·
Oct 14, 2020

Efficient and practical quantum compiler towards multi-qubit systems with deep reinforcement learning

Efficient quantum compiling tactics greatly enhance the capability of quantum computers to execute complicated quantum algorithms. Due to its fundamental importance, a plethora of quantum compilers has been designed in past years. However, there are several caveats to current protocols, which are low optimality, high inference time, limited scalability, and lack of universality. To compensate for these defects, here we devise an efficient and practical quantum compiler assisted by advanced deep reinforcement learning (RL) techniques, i.e., data generation, deep Q-learning, and AQ* search. In this way, our protocol is compatible with various quantum machines and can be used to compile multi-qubit operators. We systematically evaluate the performance of our proposal in compiling quantum operators with both inverse-closed and inverse-free universal basis sets. In the task of single-qubit operator compiling, our proposal outperforms other RL-based quantum compilers in the measure of compiling sequence length and inference time. Meanwhile, the output solution is near-optimal, guaranteed by the Solovay-Kitaev theorem. Notably, for the inverse-free universal basis set, the achieved sequence length complexity is comparable with the inverse-based setting and dramatically advances previous methods. These empirical results contribute to improving the inverse-free Solovay-Kitaev theorem. In addition, for the first time, we demonstrate how to leverage RL-based quantum compilers to accomplish two-qubit operator compiling. The achieved results open an avenue for integrating RL with quantum compiling to unify efficiency and practicality and thus facilitate the exploration of quantum advantages.

  • 6 authors
·
Apr 14, 2022

Compiling C to Safe Rust, Formalized

The popularity of the Rust language continues to explode; yet, many critical codebases remain authored in C, and cannot be realistically rewritten by hand. Automatically translating C to Rust is thus an appealing course of action. Several works have gone down this path, handling an ever-increasing subset of C through a variety of Rust features, such as unsafe. While the prospect of automation is appealing, producing code that relies on unsafe negates the memory safety guarantees offered by Rust, and therefore the main advantages of porting existing codebases to memory-safe languages. We instead explore a different path, and explore what it would take to translate C to safe Rust; that is, to produce code that is trivially memory safe, because it abides by Rust's type system without caveats. Our work sports several original contributions: a type-directed translation from (a subset of) C to safe Rust; a novel static analysis based on "split trees" that allows expressing C's pointer arithmetic using Rust's slices and splitting operations; an analysis that infers exactly which borrows need to be mutable; and a compilation strategy for C's struct types that is compatible with Rust's distinction between non-owned and owned allocations. We apply our methodology to existing formally verified C codebases: the HACL* cryptographic library, and binary parsers and serializers from EverParse, and show that the subset of C we support is sufficient to translate both applications to safe Rust. Our evaluation shows that for the few places that do violate Rust's aliasing discipline, automated, surgical rewrites suffice; and that the few strategic copies we insert have a negligible performance impact. Of particular note, the application of our approach to HACL* results in a 80,000 line verified cryptographic library, written in pure Rust, that implements all modern algorithms - the first of its kind.

  • 2 authors
·
Dec 19, 2024

Rethinking Multi-view Representation Learning via Distilled Disentangling

Multi-view representation learning aims to derive robust representations that are both view-consistent and view-specific from diverse data sources. This paper presents an in-depth analysis of existing approaches in this domain, highlighting a commonly overlooked aspect: the redundancy between view-consistent and view-specific representations. To this end, we propose an innovative framework for multi-view representation learning, which incorporates a technique we term 'distilled disentangling'. Our method introduces the concept of masked cross-view prediction, enabling the extraction of compact, high-quality view-consistent representations from various sources without incurring extra computational overhead. Additionally, we develop a distilled disentangling module that efficiently filters out consistency-related information from multi-view representations, resulting in purer view-specific representations. This approach significantly reduces redundancy between view-consistent and view-specific representations, enhancing the overall efficiency of the learning process. Our empirical evaluations reveal that higher mask ratios substantially improve the quality of view-consistent representations. Moreover, we find that reducing the dimensionality of view-consistent representations relative to that of view-specific representations further refines the quality of the combined representations. Our code is accessible at: https://github.com/Guanzhou-Ke/MRDD.

  • 4 authors
·
Mar 16, 2024

Geometric Attention: A Regime-Explicit Operator Semantics for Transformer Attention

Geometric Attention (GA) specifies an attention layer by four independent inputs: a finite carrier (what indices are addressable), an evidence-kernel rule (how masked proto-scores and a link induce nonnegative weights), a probe family (which observables are treated as admissible), and an anchor/update rule (which representative kernel is selected and how it is applied). Probe families induce an operational equivalence relation on kernels and therefore a gauge; anchors select representatives relative to that probe. Under a scalar relational-work representation and a multiplicative compositionality law for evidence, the admissible link family is exponential, yielding Gibbs weights; with row anchoring this includes the softmax kernel family as a subregime. After quotienting unary row/column score fields, the remaining interaction component admits a canonical rank-r normal form (Eckart-Young/SVD); dot-product score charts implement the corresponding low-rank interaction regime. Fixing the carrier and extensionalizing the update yields the standard fixed-token Transformer attention operator; allowing carrier updates yields adaptive-carrier and staged-depth regimes. The operator language also supports multihead/mixed kernels, plan-based anchors (e.g., entropic OT/Sinkhorn), and unary operators (e.g., FFN-style fields) as explicit regime choices. This separates invariant structure from modeling choice, enabling principled comparison and extension of attention mechanisms, and attention-based architectures.

  • 1 authors
·
Jan 10

Ground State Preparation via Dynamical Cooling

Quantum algorithms for probing ground-state properties of quantum systems require good initial states. Projection-based methods such as eigenvalue filtering rely on inputs that have a significant overlap with the low-energy subspace, which can be challenging for large, strongly-correlated systems. This issue has motivated the study of physically-inspired dynamical approaches such as thermodynamic cooling. In this work, we introduce a ground-state preparation algorithm based on the simulation of quantum dynamics. Our main insight is to transform the Hamiltonian by a shifted sign function via quantum signal processing, effectively mapping eigenvalues into positive and negative subspaces separated by a large gap. This automatically ensures that all states within each subspace conserve energy with respect to the transformed Hamiltonian. Subsequent time-evolution with a perturbed Hamiltonian induces transitions to lower-energy states while preventing unwanted jumps to higher energy states. The approach does not rely on a priori knowledge of energy gaps and requires no additional qubits to model a bath. Furthermore, it makes mathcal{O}(d^{,3/2}/epsilon) queries to the time-evolution operator of the system and mathcal{O}(d^{,3/2}) queries to a block-encoding of the perturbation, for d cooling steps and an epsilon-accurate energy resolution. Our results provide a framework for combining quantum signal processing and Hamiltonian simulation to design heuristic quantum algorithms for ground-state preparation.

  • 4 authors
·
Apr 8, 2024

Practical Benchmarking of Randomized Measurement Methods for Quantum Chemistry Hamiltonians

Many hybrid quantum-classical algorithms for the application of ground state energy estimation in quantum chemistry involve estimating the expectation value of a molecular Hamiltonian with respect to a quantum state through measurements on a quantum device. To guide the selection of measurement methods designed for this observable estimation problem, we propose a benchmark called CSHOREBench (Common States and Hamiltonians for ObseRvable Estimation Benchmark) that assesses the performance of these methods against a set of common molecular Hamiltonians and common states encountered during the runtime of hybrid quantum-classical algorithms. In CSHOREBench, we account for resource utilization of a quantum computer through measurements of a prepared state, and a classical computer through computational runtime spent in proposing measurements and classical post-processing of acquired measurement outcomes. We apply CSHOREBench considering a variety of measurement methods on Hamiltonians of size up to 16 qubits. Our discussion is aided by using the framework of decision diagrams which provides an efficient data structure for various randomized methods and illustrate how to derandomize distributions on decision diagrams. In numerical simulations, we find that the methods of decision diagrams and derandomization are the most preferable. In experiments on IBM quantum devices against small molecules, we observe that decision diagrams reduces the number of measurements made by classical shadows by more than 80%, that made by locally biased classical shadows by around 57%, and consistently require fewer quantum measurements along with lower classical computational runtime than derandomization. Furthermore, CSHOREBench is empirically efficient to run when considering states of random quantum ansatz with fixed depth.

  • 7 authors
·
Dec 12, 2023

Disentanglement via Latent Quantization

In disentangled representation learning, a model is asked to tease apart a dataset's underlying sources of variation and represent them independently of one another. Since the model is provided with no ground truth information about these sources, inductive biases take a paramount role in enabling disentanglement. In this work, we construct an inductive bias towards encoding to and decoding from an organized latent space. Concretely, we do this by (i) quantizing the latent space into discrete code vectors with a separate learnable scalar codebook per dimension and (ii) applying strong model regularization via an unusually high weight decay. Intuitively, the latent space design forces the encoder to combinatorially construct codes from a small number of distinct scalar values, which in turn enables the decoder to assign a consistent meaning to each value. Regularization then serves to drive the model towards this parsimonious strategy. We demonstrate the broad applicability of this approach by adding it to both basic data-reconstructing (vanilla autoencoder) and latent-reconstructing (InfoGAN) generative models. For reliable evaluation, we also propose InfoMEC, a new set of metrics for disentanglement that is cohesively grounded in information theory and fixes well-established shortcomings in previous metrics. Together with regularization, latent quantization dramatically improves the modularity and explicitness of learned representations on a representative suite of benchmark datasets. In particular, our quantized-latent autoencoder (QLAE) consistently outperforms strong methods from prior work in these key disentanglement properties without compromising data reconstruction.

  • 5 authors
·
May 28, 2023 1

Faces of highest weight modules and the universal Weyl polyhedron

Let V be a highest weight module over a Kac-Moody algebra g, and let conv V denote the convex hull of its weights. We determine the combinatorial isomorphism type of conv V, i.e. we completely classify the faces and their inclusions. In the special case where g is semisimple, this brings closure to a question studied by Cellini-Marietti [IMRN 2015] for the adjoint representation, and by Khare [J. Algebra 2016; Trans. Amer. Math. Soc. 2017] for most modules. The determination of faces of finite-dimensional modules up to the Weyl group action and some of their inclusions also appears in previous work of Satake [Ann. of Math. 1960], Borel-Tits [IHES Publ. Math. 1965], Vinberg [Izv. Akad. Nauk 1990], and Casselman [Austral. Math. Soc. 1997]. For any subset of the simple roots, we introduce a remarkable convex cone which we call the universal Weyl polyhedron, which controls the convex hulls of all modules parabolically induced from the corresponding Levi factor. Namely, the combinatorial isomorphism type of the cone stores the classification of faces for all such highest weight modules, as well as how faces degenerate as the highest weight gets increasingly singular. To our knowledge, this cone is new in finite and infinite type. We further answer a question of Michel Brion, by showing that the localization of conv V along a face is always the convex hull of the weights of a parabolically induced module. Finally, as we determine the inclusion relations between faces representation-theoretically from the set of weights, without recourse to convexity, we answer a similar question for highest weight modules over symmetrizable quantum groups.

  • 2 authors
·
Oct 31, 2016

Not All Large Language Models (LLMs) Succumb to the "Reversal Curse": A Comparative Study of Deductive Logical Reasoning in BERT and GPT Models

The "Reversal Curse" refers to the scenario where auto-regressive decoder large language models (LLMs), such as ChatGPT, trained on "A is B" fail to learn "B is A", demonstrating a basic failure of logical deduction. This raises a red flag in the use of GPT models for certain general tasks such as constructing knowledge graphs, considering their adherence to this symmetric principle. In our study, we examined a bidirectional LLM, BERT, and found that it is immune to the reversal curse. Driven by ongoing efforts to construct biomedical knowledge graphs with LLMs, we also embarked on evaluating more complex but essential deductive reasoning capabilities. This process included first training encoder and decoder language models to master the intersection (cap) and union (cup) operations on two sets and then moving on to assess their capability to infer different combinations of union (cup) and intersection (cap) operations on three newly created sets. The findings showed that while both encoder and decoder language models, trained for tasks involving two sets (union/intersection), were proficient in such scenarios, they encountered difficulties when dealing with operations that included three sets (various combinations of union and intersection). Our research highlights the distinct characteristics of encoder and decoder models in simple and complex logical reasoning. In practice, the choice between BERT and GPT should be guided by the specific requirements and nature of the task at hand, leveraging their respective strengths in bidirectional context comprehension and sequence prediction.

  • 3 authors
·
Dec 6, 2023

Foundations for Near-Term Quantum Natural Language Processing

We provide conceptual and mathematical foundations for near-term quantum natural language processing (QNLP), and do so in quantum computer scientist friendly terms. We opted for an expository presentation style, and provide references for supporting empirical evidence and formal statements concerning mathematical generality. We recall how the quantum model for natural language that we employ canonically combines linguistic meanings with rich linguistic structure, most notably grammar. In particular, the fact that it takes a quantum-like model to combine meaning and structure, establishes QNLP as quantum-native, on par with simulation of quantum systems. Moreover, the now leading Noisy Intermediate-Scale Quantum (NISQ) paradigm for encoding classical data on quantum hardware, variational quantum circuits, makes NISQ exceptionally QNLP-friendly: linguistic structure can be encoded as a free lunch, in contrast to the apparently exponentially expensive classical encoding of grammar. Quantum speed-up for QNLP tasks has already been established in previous work with Will Zeng. Here we provide a broader range of tasks which all enjoy the same advantage. Diagrammatic reasoning is at the heart of QNLP. Firstly, the quantum model interprets language as quantum processes via the diagrammatic formalism of categorical quantum mechanics. Secondly, these diagrams are via ZX-calculus translated into quantum circuits. Parameterisations of meanings then become the circuit variables to be learned. Our encoding of linguistic structure within quantum circuits also embodies a novel approach for establishing word-meanings that goes beyond the current standards in mainstream AI, by placing linguistic structure at the heart of Wittgenstein's meaning-is-context.

  • 4 authors
·
Dec 7, 2020

A Multi-Level Framework for Accelerating Training Transformer Models

The fast growing capabilities of large-scale deep learning models, such as Bert, GPT and ViT, are revolutionizing the landscape of NLP, CV and many other domains. Training such models, however, poses an unprecedented demand for computing power, which incurs exponentially increasing energy cost and carbon dioxide emissions. It is thus critical to develop efficient training solutions to reduce the training costs. Motivated by a set of key observations of inter- and intra-layer similarities among feature maps and attentions that can be identified from typical training processes, we propose a multi-level framework for training acceleration. Specifically, the framework is based on three basic operators, Coalescing, De-coalescing and Interpolation, which can be orchestrated to build a multi-level training framework. The framework consists of a V-cycle training process, which progressively down- and up-scales the model size and projects the parameters between adjacent levels of models via coalescing and de-coalescing. The key idea is that a smaller model that can be trained for fast convergence and the trained parameters provides high-qualities intermediate solutions for the next level larger network. The interpolation operator is designed to break the symmetry of neurons incurred by de-coalescing for better convergence performance. Our experiments on transformer-based language models (e.g. Bert, GPT) as well as a vision model (e.g. DeiT) prove that the proposed framework reduces the computational cost by about 20% on training BERT/GPT-Base models and up to 51.6% on training the BERT-Large model while preserving the performance.

  • 3 authors
·
Apr 6, 2024

LeanDojo: Theorem Proving with Retrieval-Augmented Language Models

Large language models (LLMs) have shown promise in proving formal theorems using proof assistants such as Lean. However, existing methods are difficult to reproduce or build on, due to private code, data, and large compute requirements. This has created substantial barriers to research on machine learning methods for theorem proving. This paper removes these barriers by introducing LeanDojo: an open-source Lean playground consisting of toolkits, data, models, and benchmarks. LeanDojo extracts data from Lean and enables interaction with the proof environment programmatically. It contains fine-grained annotations of premises in proofs, providing valuable data for premise selection: a key bottleneck in theorem proving. Using this data, we develop ReProver (Retrieval-Augmented Prover): the first LLM-based prover that is augmented with retrieval for selecting premises from a vast math library. It is inexpensive and needs only one GPU week of training. Our retriever leverages LeanDojo's program analysis capability to identify accessible premises and hard negative examples, which makes retrieval much more effective. Furthermore, we construct a new benchmark consisting of 96,962 theorems and proofs extracted from Lean's math library. It features challenging data split requiring the prover to generalize to theorems relying on novel premises that are never used in training. We use this benchmark for training and evaluation, and experimental results demonstrate the effectiveness of ReProver over non-retrieval baselines and GPT-4. We thus provide the first set of open-source LLM-based theorem provers without any proprietary datasets and release it under a permissive MIT license to facilitate further research.

  • 9 authors
·
Jun 27, 2023

Optimizing NOTEARS Objectives via Topological Swaps

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.

  • 4 authors
·
May 26, 2023

LeMON: Learning to Learn Multi-Operator Networks

Single-operator learning involves training a deep neural network to learn a specific operator, whereas recent work in multi-operator learning uses an operator embedding structure to train a single neural network on data from multiple operators. Thus, multi-operator learning is capable of predicting a range of operators within one model. In this work, we propose pretraining and fine-tuning strategies for solving PDEs using multi-operator learning. One key aspect is that by increasing the number of families of operators used in pretraining, a PDE foundation model can be fine-tuned to downstream tasks involving new PDEs with a limited number of samples, thus outperforming single operator neural networks. Specifically, a multi-operator learning model pre-trained with data from diverse PDE families can predict unseen operators after fine-tuning with only a limited number of operators from the new family, enabling them to serve as a data-free PDE solver. We also show that the proposed training and fine-tuning method is able to predict new operators in zero-shot prediction without samples. Additionally, we introduce a PDE-agnostic meta-learning algorithm to improve the adaptability of the model to various PDEs by providing a better parameter initialization process. To address the needs of applications with limited computing resources, we explore low-rank adaptation methods that reduce computational costs while enhancing solver accuracy. Lastly, by examining the scaling law with respect to the number of operator families, we establish and highlight its potential for broad adaptation in PDE-solving tasks.

  • 3 authors
·
Aug 28, 2024

Not All Correct Answers Are Equal: Why Your Distillation Source Matters

Distillation has emerged as a practical and effective approach to enhance the reasoning capabilities of open-source language models. In this work, we conduct a large-scale empirical study on reasoning data distillation by collecting verified outputs from three state-of-the-art teacher models-AM-Thinking-v1, Qwen3-235B-A22B, and DeepSeek-R1-on a shared corpus of 1.89 million queries. We construct three parallel datasets and analyze their distributions, revealing that AM-Thinking-v1-distilled data exhibits greater token length diversity and lower perplexity. Student models trained on each dataset are evaluated on reasoning benchmarks including AIME2024, AIME2025, MATH500, and LiveCodeBench. The AM-based model consistently achieves the best performance (e.g., 84.3 on AIME2024, 72.2 on AIME2025, 98.4 on MATH500, and 65.9 on LiveCodeBench) and demonstrates adaptive output behavior-producing longer responses for harder tasks and shorter ones for simpler tasks. These findings highlight the value of high-quality, verified reasoning traces. We release the AM-Thinking-v1 and Qwen3-235B-A22B distilled datasets to support future research on open and high-performing reasoning-oriented language models. The datasets are publicly available on Hugging FaceDatasets are available on Hugging Face: \href{https://huggingface.co/datasets/a-m-team/AM-Thinking-v1-Distilled{AM-Thinking-v1-Distilled}, https://huggingface.co/datasets/a-m-team/AM-Qwen3-Distilled{AM-Qwen3-Distilled}.}.

  • 8 authors
·
May 20, 2025 2

XFACTORS: Disentangled Information Bottleneck via Contrastive Supervision

Disentangled representation learning aims to map independent factors of variation to independent representation components. On one hand, purely unsupervised approaches have proven successful on fully disentangled synthetic data, but fail to recover semantic factors from real data without strong inductive biases. On the other hand, supervised approaches are unstable and hard to scale to large attribute sets because they rely on adversarial objectives or auxiliary classifiers. We introduce XFactors, a weakly-supervised VAE framework that disentangles and provides explicit control over a chosen set of factors. Building on the Disentangled Information Bottleneck perspective, we decompose the representation into a residual subspace S and factor-specific subspaces T_1,ldots,T_K and a residual subspace S. Each target factor is encoded in its assigned T_i through contrastive supervision: an InfoNCE loss pulls together latents sharing the same factor value and pushes apart mismatched pairs. In parallel, KL regularization imposes a Gaussian structure on both S and the aggregated factor subspaces, organizing the geometry without additional supervision for non-targeted factors and avoiding adversarial training and classifiers. Across multiple datasets, with constant hyperparameters, XFactors achieves state-of-the-art disentanglement scores and yields consistent qualitative factor alignment in the corresponding subspaces, enabling controlled factor swapping via latent replacement. We further demonstrate that our method scales correctly with increasing latent capacity and evaluate it on the real-world dataset CelebA. Our code is available at https://github.com/ICML26-anon/XFactors{github.com/ICML26-anon/XFactors}.

  • 6 authors
·
Jan 29

The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products

E(3)-equivariant neural networks have demonstrated success across a wide range of 3D modelling tasks. A fundamental operation in these networks is the tensor product, which interacts two geometric features in an equivariant manner to create new features. Due to the high computational complexity of the tensor product, significant effort has been invested to optimize the runtime of this operation. For example, Luo et al. (2024) recently proposed the Gaunt tensor product (GTP) which promises a significant speedup. In this work, we provide a careful, systematic analysis of a number of tensor product operations. In particular, we emphasize that different tensor products are not performing the same operation. The reported speedups typically come at the cost of expressivity. We introduce measures of expressivity and interactability to characterize these differences. In addition, we realized the original implementation of GTP can be greatly simplified by directly using a spherical grid at no cost in asymptotic runtime. This spherical grid approach is faster on our benchmarks and in actual training of the MACE interatomic potential by 30%. Finally, we provide the first systematic microbenchmarks of the various tensor product operations. We find that the theoretical runtime guarantees can differ wildly from empirical performance, demonstrating the need for careful application-specific benchmarking. Code is available at https://github.com/atomicarchitects/PriceofFreedom.

  • 4 authors
·
Jun 16, 2025

Distribution-Aligned Sequence Distillation for Superior Long-CoT Reasoning

In this report, we introduce DASD-4B-Thinking, a lightweight yet highly capable, fully open-source reasoning model. It achieves SOTA performance among open-source models of comparable scale across challenging benchmarks in mathematics, scientific reasoning, and code generation -- even outperforming several larger models. We begin by critically reexamining a widely adopted distillation paradigm in the community: SFT on teacher-generated responses, also known as sequence-level distillation. Although a series of recent works following this scheme have demonstrated remarkable efficiency and strong empirical performance, they are primarily grounded in the SFT perspective. Consequently, these approaches focus predominantly on designing heuristic rules for SFT data filtering, while largely overlooking the core principle of distillation itself -- enabling the student model to learn the teacher's full output distribution so as to inherit its generalization capability. Specifically, we identify three critical limitations in current practice: i) Inadequate representation of the teacher's sequence-level distribution; ii) Misalignment between the teacher's output distribution and the student's learning capacity; and iii) Exposure bias arising from teacher-forced training versus autoregressive inference. In summary, these shortcomings reflect a systemic absence of explicit teacher-student interaction throughout the distillation process, leaving the essence of distillation underexploited. To address these issues, we propose several methodological innovations that collectively form an enhanced sequence-level distillation training pipeline. Remarkably, DASD-4B-Thinking obtains competitive results using only 448K training samples -- an order of magnitude fewer than those employed by most existing open-source efforts. To support community research, we publicly release our models and the training dataset.

Neural Circuit Diagrams: Robust Diagrams for the Communication, Implementation, and Analysis of Deep Learning Architectures

Diagrams matter. Unfortunately, the deep learning community has no standard method for diagramming architectures. The current combination of linear algebra notation and ad-hoc diagrams fails to offer the necessary precision to understand architectures in all their detail. However, this detail is critical for faithful implementation, mathematical analysis, further innovation, and ethical assurances. I present neural circuit diagrams, a graphical language tailored to the needs of communicating deep learning architectures. Neural circuit diagrams naturally keep track of the changing arrangement of data, precisely show how operations are broadcast over axes, and display the critical parallel behavior of linear operations. A lingering issue with existing diagramming methods is the inability to simultaneously express the detail of axes and the free arrangement of data, which neural circuit diagrams solve. Their compositional structure is analogous to code, creating a close correspondence between diagrams and implementation. In this work, I introduce neural circuit diagrams for an audience of machine learning researchers. After introducing neural circuit diagrams, I cover a host of architectures to show their utility and breed familiarity. This includes the transformer architecture, convolution (and its difficult-to-explain extensions), residual networks, the U-Net, and the vision transformer. I include a Jupyter notebook that provides evidence for the close correspondence between diagrams and code. Finally, I examine backpropagation using neural circuit diagrams. I show their utility in providing mathematical insight and analyzing algorithms' time and space complexities.

  • 1 authors
·
Feb 8, 2024 1

Approximate Quantum Compiling for Quantum Simulation: A Tensor Network based approach

We introduce AQCtensor, a novel algorithm to produce short-depth quantum circuits from Matrix Product States (MPS). Our approach is specifically tailored to the preparation of quantum states generated from the time evolution of quantum many-body Hamiltonians. This tailored approach has two clear advantages over previous algorithms that were designed to map a generic MPS to a quantum circuit. First, we optimize all parameters of a parametric circuit at once using Approximate Quantum Compiling (AQC) - this is to be contrasted with other approaches based on locally optimizing a subset of circuit parameters and "sweeping" across the system. We introduce an optimization scheme to avoid the so-called ``orthogonality catastrophe" - i.e. the fact that the fidelity of two arbitrary quantum states decays exponentially with the number of qubits - that would otherwise render a global optimization of the circuit impractical. Second, the depth of our parametric circuit is constant in the number of qubits for a fixed simulation time and fixed error tolerance. This is to be contrasted with the linear circuit Ansatz used in generic algorithms whose depth scales linearly in the number of qubits. For simulation problems on 100 qubits, we show that AQCtensor thus achieves at least an order of magnitude reduction in the depth of the resulting optimized circuit, as compared with the best generic MPS to quantum circuit algorithms. We demonstrate our approach on simulation problems on Heisenberg-like Hamiltonians on up to 100 qubits and find optimized quantum circuits that have significantly reduced depth as compared to standard Trotterized circuits.

  • 4 authors
·
Jan 20, 2023