Daily Papers

Automatic Differentiation (AD) has become a dominant technique in ML. AD frameworks have first been implemented for imperative languages using tapes. Meanwhile, functional implementations of AD have been developed, often based on dual numbers, which are close to the formal specification of differentiation and hence easier to prove correct. But these papers have focussed on correctness not efficiency. Recently, it was shown how an approach using dual numbers could be made efficient through the right optimizations. Optimizations are highly dependent on order, as one optimization can enable another. It can therefore be useful to have fine-grained control over the scheduling of optimizations. One method expresses compiler optimizations as rewrite rules, whose application can be combined and controlled using strategy languages. Previous work describes the use of term rewriting and strategies to generate high-performance code in a compiler for a functional language. In this work, we implement dual numbers AD in a functional array programming language using rewrite rules and strategy combinators for optimization. We aim to combine the elegance of differentiation using dual numbers with a succinct expression of the optimization schedule using a strategy language. We give preliminary evidence suggesting the viability of the approach on a micro-benchmark.

Structure-based drug discovery, encompassing the tasks of protein-ligand docking and pocket-aware 3D drug design, represents a core challenge in drug discovery. However, no existing work can deal with both tasks to effectively leverage the duality between them, and current methods for each task are hindered by challenges in modeling 3D information and the limitations of available data. To address these issues, we propose 3DMolFormer, a unified dual-channel transformer-based framework applicable to both docking and 3D drug design tasks, which exploits their duality by utilizing docking functionalities within the drug design process. Specifically, we represent 3D pocket-ligand complexes using parallel sequences of discrete tokens and continuous numbers, and we design a corresponding dual-channel transformer model to handle this format, thereby overcoming the challenges of 3D information modeling. Additionally, we alleviate data limitations through large-scale pre-training on a mixed dataset, followed by supervised and reinforcement learning fine-tuning techniques respectively tailored for the two tasks. Experimental results demonstrate that 3DMolFormer outperforms previous approaches in both protein-ligand docking and pocket-aware 3D drug design, highlighting its promising application in structure-based drug discovery. The code is available at: https://github.com/HXYfighter/3DMolFormer .

Chain-of-thought (CoT) prompting improves LLM reasoning but incurs high latency and memory cost due to verbose traces, motivating CoT compression with preserved correctness. Existing methods either shorten CoTs at the semantic level, which is often conservative, or prune tokens aggressively, which can miss task-critical cues and degrade accuracy. Moreover, combining the two is non-trivial due to sequential dependency, task-agnostic pruning, and distribution mismatch. We propose CtrlCoT, a dual-granularity CoT compression framework that harmonizes semantic abstraction and token-level pruning through three components: Hierarchical Reasoning Abstraction produces CoTs at multiple semantic granularities; Logic-Preserving Distillation trains a logic-aware pruner to retain indispensable reasoning cues (e.g., numbers and operators) across pruning ratios; and Distribution-Alignment Generation aligns compressed traces with fluent inference-time reasoning styles to avoid fragmentation. On MATH-500 with Qwen2.5-7B-Instruct, CtrlCoT uses 30.7\% fewer tokens while achieving 7.6 percentage points higher than the strongest baseline, demonstrating more efficient and reliable reasoning. Our code will be publicly available at https://github.com/fanzhenxuan/Ctrl-CoT.

Universal adversarial attacks on aligned multimodal large language models are increasingly reported with attack success rates in the 60-80% range, suggesting the visual modality is highly vulnerable to imperceptible perturbations as a prompt-injection channel. We argue that this number conflates two distinct events: (i) the model's output was perturbed (Influence), and (ii) the attacker's chosen target concept was actually emitted (Precise Injection). We compose two existing techniques -- Universal Adversarial Attack and AnyAttack -- under an L_{inf} budget of 16/255, and we add a dual-axis evaluation: a deterministic Ratcliff-Obershelp drift score for Influence (programmatic baseline) plus a 4-tier ordinal categorical none/weak/partial/confirmed for Precise Injection. The judge is DeepSeek-V4-Pro in thinking mode, calibrated against Claude Opus 4.7 with Cohen's κ = 0.77 on the injection axis (substantial agreement); the entire 4475-entry SHA-256 input cache ships with the dataset so reviewers can re-derive paper numbers bit-exact without an API key. Across 6615 pairs over four open VLMs, seven attack prompts, and seven test images, the two axes diverge by roughly 90times: 66.4% of pairs are programmatically disturbed (LLM-judged 46.6% at the substantial-or-complete tier), but only 0.756% (50/6615) reach any non-none injection tier and only 0.030% (2/6615) verbatim. The few injections that do land cluster on screenshot- or document-style carriers whose semantics already invite text transcription. BLIP-2 shows zero detectable drift at L_{inf} = 16/255 across all 2205 pairs even when used as a Stage-1 surrogate. We release the full dataset -- 21 universal images, 147 adversarial photos, 6,615 response pairs, the v3 dual-axis judge results, and the cache at huggingface.co/datasets/jeffliulab/visinject.

This is an essay in what might be called ``mathematical metaphysics.'' There is a fundamental duality that run through mathematics and the natural sciences. The duality starts as the logical level; it is represented by the Boolean logic of subsets and the logic of partitions since subsets and partitions are category-theoretic dual concepts. In more basic terms, it starts with the duality between the elements (Its) of subsets and the distinctions (Dits, i.e., ordered pairs of elements in different blocks) of a partition. Mathematically, the Its & Dits duality is fully developed in category theory as the reverse-the-arrows duality. The quantitative versions of subsets and partitions are developed as probability theory and information theory (based on logical entropy). Classical physics was based on a view of reality as definite all the way down. In contrast, quantum physics embodies (objective) indefiniteness. And finally, there are the two fundamental dual mechanisms at work in biology, the selectionist mechanism and the generative mechanism, two mechanisms that embody the fundamental duality.

This study explores the interference in temporal processing within a dual-task paradigm from an artificial intelligence (AI) perspective. In this context, the dual-task setup is implemented as a simplified version of the Overcooked environment with two variations, single task (T) and dual task (T+N). Both variations involve an embedded time production task, but the dual task (T+N) additionally involves a concurrent number comparison task. Two deep reinforcement learning (DRL) agents were separately trained for each of these tasks. These agents exhibited emergent behavior consistent with human timing research. Specifically, the dual task (T+N) agent exhibited significant overproduction of time relative to its single task (T) counterpart. This result was consistent across four target durations. Preliminary analysis of neural dynamics in the agents' LSTM layers did not reveal any clear evidence of a dedicated or intrinsic timer. Hence, further investigation is needed to better understand the underlying time-keeping mechanisms of the agents and to provide insights into the observed behavioral patterns. This study is a small step towards exploring parallels between emergent DRL behavior and behavior observed in biological systems in order to facilitate a better understanding of both.

The higher Bruhat orders B(n,k) were introduced by Manin-Schechtman to study discriminantal hyperplane arrangements and subsequently studied by Ziegler, who connected B(n,k) to oriented matroids. In this paper, we consider the enumeration of B(n,k) and improve upon Balko's asymptotic lower and upper bounds on |B(n,k)| by a factor exponential in k. A proof of Ziegler's formula for |B(n,n-3)| is given and a bijection between a certain subset of B(n,n-4) and totally symmetric plane partitions is proved. Central to our proofs are deletion and contraction operations for the higher Bruhat orders, defined in analogy with matroids. Dual higher Bruhat orders are also introduced, and we construct isomorphisms relating the higher Bruhat orders and their duals. Additionally, weaving functions are introduced to generalize Felsner's encoding of elements in B(n,2) to all higher Bruhat orders B(n,k).

Training deep neural networks is a challenging non-convex optimization problem. Recent work has proven that the strong duality holds (which means zero duality gap) for regularized finite-width two-layer ReLU networks and consequently provided an equivalent convex training problem. However, extending this result to deeper networks remains to be an open problem. In this paper, we prove that the duality gap for deeper linear networks with vector outputs is non-zero. In contrast, we show that the zero duality gap can be obtained by stacking standard deep networks in parallel, which we call a parallel architecture, and modifying the regularization. Therefore, we prove the strong duality and existence of equivalent convex problems that enable globally optimal training of deep networks. As a by-product of our analysis, we demonstrate that the weight decay regularization on the network parameters explicitly encourages low-rank solutions via closed-form expressions. In addition, we show that strong duality holds for three-layer standard ReLU networks given rank-1 data matrices.

We present DuPO, a dual learning-based preference optimization framework that generates annotation-free feedback via a generalized duality. DuPO addresses two key limitations: Reinforcement Learning with Verifiable Rewards (RLVR)'s reliance on costly labels and applicability restricted to verifiable tasks, and traditional dual learning's restriction to strictly dual task pairs (e.g., translation and back-translation). Specifically, DuPO decomposes a primal task's input into known and unknown components, then constructs its dual task to reconstruct the unknown part using the primal output and known information (e.g., reversing math solutions to recover hidden variables), broadening applicability to non-invertible tasks. The quality of this reconstruction serves as a self-supervised reward to optimize the primal task, synergizing with LLMs' ability to instantiate both tasks via a single model. Empirically, DuPO achieves substantial gains across diverse tasks: it enhances the average translation quality by 2.13 COMET over 756 directions, boosts the mathematical reasoning accuracy by an average of 6.4 points on three challenge benchmarks, and enhances performance by 9.3 points as an inference-time reranker (trading computation for accuracy). These results position DuPO as a scalable, general, and annotation-free paradigm for LLM optimization.

This paper presents Dual Lagrangian Learning (DLL), a principled learning methodology for dual conic optimization proxies. DLL leverages conic duality and the representation power of ML models to provide high-duality, dual-feasible solutions, and therefore valid Lagrangian dual bounds, for linear and nonlinear conic optimization problems. The paper introduces a systematic dual completion procedure, differentiable conic projection layers, and a self-supervised learning framework based on Lagrangian duality. It also provides closed-form dual completion formulae for broad classes of conic problems, which eliminate the need for costly implicit layers. The effectiveness of DLL is demonstrated on linear and nonlinear conic optimization problems. The proposed methodology significantly outperforms a state-of-the-art learning-based method, and achieves 1000x speedups over commercial interior-point solvers with optimality gaps under 0.5\% on average.

The instruction-following capabilities of large language models (LLMs) are pivotal for numerous applications, from conversational agents to complex reasoning systems. However, current evaluations predominantly focus on English models, neglecting the linguistic and cultural nuances of other languages. Specifically, Korean, with its distinct syntax, rich morphological features, honorific system, and dual numbering systems, lacks a dedicated benchmark for assessing open-ended instruction-following capabilities. To address this gap, we introduce the Korean Instruction-following Task Evaluation (KITE), a comprehensive benchmark designed to evaluate both general and Korean-specific instructions. Unlike existing Korean benchmarks that focus mainly on factual knowledge or multiple-choice testing, KITE directly targets diverse, open-ended instruction-following tasks. Our evaluation pipeline combines automated metrics with human assessments, revealing performance disparities across models and providing deeper insights into their strengths and weaknesses. By publicly releasing the KITE dataset and code, we aim to foster further research on culturally and linguistically inclusive LLM development and inspire similar endeavors for other underrepresented languages.

Many machine learning models based on neural networks exhibit scaling laws: their performance scales as power laws with respect to the sizes of the model and training data set. We use large-N field theory methods to solve a model recently proposed by Maloney, Roberts and Sully which provides a simplified setting to study neural scaling laws. Our solution extends the result in this latter paper to general nonzero values of the ridge parameter, which are essential to regularize the behavior of the model. In addition to obtaining new and more precise scaling laws, we also uncover a duality transformation at the diagrams level which explains the symmetry between model and training data set sizes. The same duality underlies recent efforts to design neural networks to simulate quantum field theories.

For any given dimension d, all reflexive d-polytopes can be found (in principle) as subpolytopes of a number of maximal polyhedra that are defined in terms of (d+1)-tuples of integers (weights), or combinations of k-tuples of weights with k<d+1. We present the results of a complete classification of sextuples of weights pertaining to the construction of all reflexive polytopes in five dimensions. We find 322 383 760 930 such weight systems. 185 269 499 015 of them give rise directly to reflexive polytopes and thereby to mirror pairs of Calabi-Yau fourfolds. These lead to 532 600 483 distinct sets of Hodge numbers.