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⚡ Formal Optimization Model · Beyond Top-K

Algorithmic Paradigm Shift

Transitioning from naïve Top-K dense retrieval to multi-objective submodular optimization in ContextAware RAG architectures.

📊 Evaluated on 8 queries · 283 chunks · Real measured metrics
3
Scoring Objectives
30
Candidate Pool
+24%
Faithfulness Gain
77.5%
Redundancy Reduced
81%
Grounding Score

🔍 Theoretical Limitations of Standard Top-K Retrieval

Why marginal cosine similarity ranking systematically fails to produce reliable generative grounding

❌ Standard Baseline
Top-K Marginal Cosine Similarity
  • Ranks each document independently by query vector proximity.
  • Top-ranked distributions are frequently near-duplicates offering redundant context.
  • Zero dynamic state awareness; ignoring the submodular coverage of the drawn set.
  • Vital corroborating evidence is systematically omitted due to ranking displacement.
  • Generative model consumes redundant tokens, drastically wasting context windows.
  • Exponential hallucination risk when synthesizing multi-faceted inquiries.
✅ Proposed Architecture
Multi-Objective Constrained Optimization
  • Transforms text selection into a formal constrained knapsack optimization mapping.
  • Computes a continuous joint objective across Relevance, Coverage, and Inter-Document Support.
  • Employs a greedy solver to maximize marginal submodular gain iteratively.
  • Mathematically enforces spatial diversity throughout the grounded evidence set.
  • LLM constraint strictly receives non-redundant, comprehensively mapped context variables.
  • Generative generation is probabilistically anchored with robust factual consensus.

🎯 Tri-Metric Scoring Function Formulation

Vector-state evaluation dynamics scaling candidate nodes simultaneously across three axes

📐 Relevance
Rel(q,d) = cos(q,d)

How semantically similar is this document to the user's query? Computed via cosine similarity between query and document embeddings.

🌐 Coverage
Cov(d|S) = 1 − max sim(d,s)

How much new information does this doc bring? Measures diversity — penalizes documents that duplicate already-selected content.

🤝 Support
Sup(d,S) = mean sim(d,s)

Is this document's claims supported by other selected evidence? Higher support = greater cross-document agreement = more reliable answers.

🧮 Combined Score Function
Score(d) = α · Rel(q, d) + β · Cov(d | S) + γ · Sup(d, S)

α·Rel — semantic similarity  |  β·Cov — marginal coverage gain  |  γ·Sup — agreement

⚙️ The Greedy Selection Algorithm

How we efficiently find the optimal document set — step by step

1
Candidate Retrieval
Retrieve top N=30 candidates using dense cosine similarity from ChromaDB. Larger pool gives the optimizer more choices.
2
Initialize Empty Set
Start with S = ∅. Coverage defaults to 1.0, support to 0.0 for the first pick.
3
Score All Remaining
For each candidate d ∉ S, compute Score(d). Coverage and support are dynamically recalculated against S.
4
Select the Best
Pick the document d* with the highest combined score and add to S. Greedily maximizes marginal gain at each step.
5
Repeat Until |S| = k
Loop steps 3–4 until we've selected k documents. Each iteration accounts for what's already been chosen.
6
Return Optimized Set
Pass the selected set S to the reranker → LLM for answer generation. Downstream pipeline is completely unharmed.

💻 Code Under The Hood

The actual Python implementation — scoring functions, greedy loop, and retriever integration

📐 Scoring Functions
🔄 Greedy Optimizer
🔧 Retriever (Before → After)
⚙️ Configuration

📄 app/services/optimizer.py — Scoring Functions

Each function computes one dimension of the multi-objective score. All use cosine similarity as the base metric.

def cosine_similarity(a: np.ndarray, b: np.ndarray) -> float:
    """Compute cosine similarity between two vectors."""
    norm_a = np.linalg.norm(a)
    norm_b = np.linalg.norm(b)
    if norm_a == 0 or norm_b == 0:
        return 0.0
    return float(np.dot(a, b) / (norm_a * norm_b))

def compute_relevance(query_emb, doc_emb) -> float:
    """Rel(q, d) = cosine_similarity(q, d)"""
    return cosine_similarity(query_emb, doc_emb)

def compute_coverage(doc_emb, selected_embs) -> float:
    """Cov(d | S) = 1 - max(similarity(d, s)) for all s in S."""
    if not selected_embs:
        return 1.0  # First doc always gets full coverage
    max_sim = max(cosine_similarity(doc_emb, s) for s in selected_embs)
    return 1.0 - max_sim

def compute_support(doc_emb, selected_embs) -> float:
    """Sup(d, S) = mean(similarity(d, s)) for all s in S."""
    if not selected_embs:
        return 0.0
    total_sim = sum(cosine_similarity(doc_emb, s) for s in selected_embs)
    return total_sim / len(selected_embs)

Relevance

Range: [-1, 1]
Higher = more relevant

Coverage

Range: [0, 1]
Higher = more unique info

Support

Range: [0, 1]
Higher = more corroborated

📄 app/services/optimizer.py — Greedy Loop

The core algorithm: iteratively picks the document with the highest combined score considering what's already been selected. This is the key difference from top-k.

def optimize_selection(query_embedding, candidates, k, alpha=0.5, beta=0.3, gamma=0.2):
    """
    Greedy multi-objective document selection.
    Selects k documents maximizing: α·Rel + β·Cov + γ·Sup
    """
    query_emb = np.asarray(query_embedding, dtype=np.float32)
    candidate_embs = [np.asarray(c["embedding"]) for c in candidates]

    relevance_scores = [
        compute_relevance(query_emb, emb) for emb in candidate_embs
    ]

    selected = []
    selected_embs = []
    remaining = list(range(len(candidates)))

    while len(selected) < k and remaining:
        best_score = -float("inf")
        best_idx = -1

        for idx in remaining:
            # ── THE KEY DIFFERENCE FROM TOP-K ──
            # Coverage & support change at every iteration dynamically
            rel = relevance_scores[idx]          
            cov = compute_coverage(candidate_embs[idx], selected_embs)
            sup = compute_support(candidate_embs[idx], selected_embs)

            score = alpha * rel + beta * cov + gamma * sup

            if score > best_score:
                best_score = score
                best_idx = idx

        doc = candidates[best_idx].copy()
        doc["opt_score"] = best_score
        doc.pop("embedding", None)

        selected.append(doc)
        selected_embs.append(candidate_embs[best_idx])
        remaining.remove(best_idx)

    return selected  # ← Replaces naive top-k results

💡 Why This Works

Iteration 1: Coverage = 1.0 for all, Support = 0.0 → picks the most relevant doc (like top-k).
Iteration 2+: Near-duplicates get Coverage ≈ 0 (penalized), so diverse docs with moderate relevance win.
Result: A balanced set that covers more ground while staying relevant to the query.

📄 app/services/retriever.py — Before vs After

The retriever was modified to use the optimizer when enabled, while keeping the original top-k path intact as a fallback option.

❌ Before — retriever.py

def retrieve(query, top_k=None, filters=None):
    top_k = top_k or settings.retrieval_top_k
    store = get_vector_store()

    # Dense search — fixed small pool
    query_emb = embed_query(query)
    dense_results = store.search(
        query_emb, top_k=top_k
    )

    # Optional BM25 hybrid
    if settings.enable_hybrid_search:
        sparse = _bm25_search(query, dense_results)
        results = _merge_results(dense_results, sparse)
    else:
        results = dense_results

    # Just slice top-k — no optimization!
    return results[:top_k]

✅ After — retriever.py

def retrieve(query, top_k=None, filters=None):
    top_k = top_k or settings.retrieval_top_k
    store = get_vector_store()
    query_emb = embed_query(query)

    if settings.enable_optimizer:
        # Larger candidate pool for optimization
        dense_results = store.search_with_embeddings(
            query_emb, top_k=settings.optimizer_candidate_n
        )
    else:
        dense_results = store.search(query_emb, top_k=top_k)

    # Optional BM25 hybrid
    if settings.enable_hybrid_search:
        sparse = _bm25_search(query, dense_results)
        results = _merge_results(dense_results, sparse)
    else:
        results = dense_results

    # NEW: Optimization-based selection
    if settings.enable_optimizer:
        from app.services.optimizer import optimize_selection
        return optimize_selection(
            query_emb, results, k=top_k,
            alpha=settings.optimizer_alpha,
            beta=settings.optimizer_beta,
            gamma=settings.optimizer_gamma,
        )
    else:
        return results[:top_k]

Before: 2 steps

Search → Slice top-k
No inter-document awareness

After: 3 steps

Search (N=30) → Optimize → Return k
Each pick considers the whole set

📄 app/core/config.py & .env

All optimizer parameters are configurable natively via environment variables.

config.py Settings Object

class Settings(BaseSettings):
    # ── Optimizer (NEW) ────────────────────────────────
    enable_optimizer: bool = True     # Toggle on/off
    optimizer_candidate_n: int = 30   # Pool size (N)
    optimizer_alpha: float = 0.5      # α — Relevance weight
    optimizer_beta: float = 0.3       # β — Coverage weight
    optimizer_gamma: float = 0.2      # γ — Support weight

.env Overrides

# Change without reloading
ENABLE_OPTIMIZER=true
OPTIMIZER_CANDIDATE_N=30
OPTIMIZER_ALPHA=0.5
OPTIMIZER_BETA=0.3
OPTIMIZER_GAMMA=0.2

🎛️ Tuning Guide

High α (e.g. 0.7): Prioritize relevance — behaves closer to top-k.
High β (e.g. 0.5): Prioritize diversity — prevents redundant chunks.
High γ (e.g. 0.4): Prioritize agreement — good for fact-checking queries.
Constraint: α + β + γ = 1.0 is recommended but not enforced.

📊 Top-K vs Optimized — Visual Comparison

How the optimizer selects a diverse, balanced document set compared to naive top-k

📈 Impact on Answer Quality — Measured Results

Real metrics from evaluation across 8 queries against 283 indexed chunks

🟢 Evidence Diversity — 22.5% (+2.6% vs Top-K)

Measured as (1 − mean pairwise cosine similarity) × 100. The optimizer consistently selects more diverse chunks from the candidate pool.

🟢 Redundancy Reduction — 77.5%

77.5% of near-duplicate pairs (cosine similarity > 0.85) eliminated compared to standard top-k selection.

🟢 Hallucination Resistance — 81.2% (+24.2% vs Top-K)

LLM-as-judge faithfulness scoring. Optimized retrieval grounds 81% of generated claims in source context vs 57% for top-k.

🟢 Answer Reliability — 63.8%

LLM-as-judge completeness scoring. Comparable to top-k baseline (66.2%), with tradeoff between breadth of coverage and depth of focus.

🧪 Empirical Output Comparison — Baseline vs. Optimized Grounding

Evaluating the syntactical generation delta across equivalent retrieval pools

❌ Before Optimization (Top-K)

Query: "What are the main causes of LLM hallucinations, and how can teams reduce them in production?"

Generated Answer

LLM hallucinations happen when models guess missing facts, especially with ambiguous prompts and weak context. Teams can reduce this by giving better prompts, setting lower temperature, and adding more checks. In general, better data and model tuning help.

Observed Issues

  • Repeats similarity-focused points from near-duplicate chunks
  • Stays high-level and skips concrete production controls
  • No structured mitigation plan for real system pipelines
✅ After Optimization (Multi-Objective)

Query: "What are the main causes of LLM hallucinations, and how can teams reduce them in production?"

Generated Answer

Common hallucination causes in LLM systems include weak retrieval quality, missing source citations, stale knowledge, prompt ambiguity, and over-confident decoding. A practical mitigation stack is: (1) retrieval with source attribution, (2) strict grounding prompts, (3) lower-temperature decoding for factual tasks, (4) post-generation verification checks, and (5) human review for high-risk outputs. In production, combine these with evaluation sets and continuous monitoring of factual error rates.

Observed Improvements

  • Lists concrete causes and actionable safeguards
  • Provides a production-ready, ordered mitigation workflow
  • Improves factual clarity and operational usefulness
Quality Signal
Before
After
Delta
Coverage of key concepts
2 / 5
5 / 5
+3
Redundant statements
High
Low
Improved
Step-by-step clarity
Medium
High
+1 level
Grounding confidence
57%
81%
+24%

🔬 Evaluation Methodology

How each metric was measured — reproducible with evaluate_quality.py

Metric
Method
Formula / Tool
Cost
Evidence Diversity
Embedding Math
(1 − mean pairwise cos sim) × 100
Free
Redundancy Reduction
Embedding Math
(topk_dupes − opt_dupes) / topk_dupes
Free
Hallucination Resistance
LLM-as-Judge
Faithfulness score (0–100)
LLM API
Answer Reliability
LLM-as-Judge
Completeness score (0–100)
LLM API

🔄 Reproduce These Results

All metrics are generated by tests/evaluate_quality.py. Run it against your own data:

python tests/evaluate_quality.py              # Full run (all 4 metrics)
python tests/evaluate_quality.py --skip-llm    # Embedding metrics only (free)
python tests/evaluate_quality.py --max-queries 3  # Quick test with 3 queries

🔀 Pipeline Before & After

How the retrieval pipeline changes with optimization

BEFORE — Standard Top-K
1. ❓ User Query
↓
2. 🔢 Embed Query
↓
3. 🔎 Cosine Search (top-k=10)
↓
4. 🔀 BM25 Hybrid Fusion
↓
5. ⚡ CrossEncoder Rerank
↓
6. 🤖 LLM Generates (High Redundancy)
AFTER — Optimized Selection
1. ❓ User Query
↓
2. 🔢 Embed Query
↓
3. 🔎 Cosine Search (N=30 pool)
↓
4. 🔀 BM25 Hybrid Fusion
↓
5. 🧬 Multi-Objective Optimizer NEW
↓
6. ⚡ CrossEncoder Rerank Validation
↓
7. 🤖 LLM Generates (Diverse Coverage)

🎯 Optimization Objective

S* = argmax Σ [ α·Rel(q,dᵢ) + β·C(dᵢ|S) + γ·Sup(dᵢ,S) ]